Selection of Internal and External Publications
Some publications about the beam lines:
XDSAPP2.0
Karine M. Sparta, Michael Krug, Udo Heinemann, Uwe Mueller and Manfred S. Weiss
J. Appl. Cryst. 49 (2016), DOI: 10.1107/S1600576716004416
The macromolecular crystallography beamlines at BESSY II of the Helmholtz-Zentrum Berlin: Current status and perspectives
Uwe Mueller, Ronald Förster, Michael Hellmig, Franziska U. Huschmann, Alexandra Kastner, Piotr Malecki, Sandra Pühringer, Martin Röwer, Karine Sparta, Michael Steffien, Monika Ühlein, Piotr Wil, and Manfred S. Weiss
Eur. Phys. J. Plus 130, 141 (2015). DOI 10.1140/epjp/i2015-15141-2
Facilities for macromolecular crystallography at the Helmholtz-Zentrum Berlin
Uwe Mueller, Nora Darowski, Martin R. Fuchs, Ronald Förster, Michael Hellmig, Karthik S. Paithankar, Sandra Pühringer, Michael Steffien, Georg Zocher and Manfred S. Weiss
J. Synchrotron Rad. 19, 442–449 (2012). DOI: 10.1107/S0909049512006395
XDSAPP: a graphical user interface for the convenient processing of diffraction data using XDS
Michael Krug, Manfred S. Weiss, Udo Heinemannb, and Uwe Mueller
J. Appl. Cryst. 45, 568–572 (2012). DOI: 10.1107/S0021889812011715
For the years 2011 and 2016, the total publications are extrapolated, the actual numbers are only partially available.
Listed below are 1251 publications with direct reference to 2921 PDB structures (out of 3656 released) citing the X-ray diffraction experiments at the HZB-MX beamlines. The sort order is by electronic publication date, with the latest one at the top.
Last updated 05 May 2021
2021
- Characterization and functional analysis of cathelicidin-MH, a novel frog-derived peptide with anti-septicemic properties.
Chai, J., Chen, X., Ye, T., Zeng, B., Zeng, Q., Wu, J., Kascakova, B., Martins, L.A., Prudnikova, T., Smatanova, I.K., Kotsyfakis, M., Xu, X.
Elife 10, pp. e64411 (2021)
DOI: 10.7554/elife.64411
PubMed ID: 33875135 - The role of positive charged residue in the proton-transfer mechanism of two-domain laccase from Streptomyces griseoflavus Ac-993.
Gabdulkhakov, A., Kolyadenko, I., Oliveira, P., Tamagnini, P., Mikhaylina, A., Tishchenko, S.
J Biomol Struct Dyn , pp. 1 (2021)
DOI: 10.1080/07391102.2021.1911852
PubMed ID: 33870857 - Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
Dostal, J., Brynda, J., Vankova, L., Zia, S.R., Pichova, I., Heidingsfeld, O., Lepsik, M.
J Enzyme Inhib Med Chem 36, pp. 914 (2021)
DOI: 10.1080/14756366.2021.1906664
PubMed ID: 33843395 - A biosensor for the direct visualization of auxin
Herud-Sikimic, O., Stiel, A.C., Kolb, M., Shanmugaratnam, S., Berendzen, K.W., Feldhaus, C., Hocker, B., Juergens, G.
Nature 592, pp. 768 (2021)
DOI: 10.1038/s41586-021-03425-2 - Effective rational humanization of a PASylated anti-galectin-3 Fab for the sensitive PET imaging of thyroid cancer in vivo.
Peplau, E., De Rose, F., Eichinger, A., Reder, S., Mittelhauser, M., Scafetta, G., Schwaiger, M., Weber, W.A., Bartolazzi, A., D'Alessandria, C., Skerra, A.
Sci Rep 11, pp. 7358 (2021)
DOI: 10.1038/s41598-021-86641-0
PubMed ID: 33795750 - Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Smola, M., Gutten, O., Dejmek, M., Kozisek, M., Evangelidis, T., Tehrani, Z.A., Novotna, B., Nencka, R., Birkus, G., Rulisek, L., Boura, E.
Angew Chem Int Ed Engl 60, pp. 10172 (2021)
DOI: 10.1002/anie.202016805
PubMed ID: 33616279 - Natural Glycoforms of Human Interleukin 6 show atypical plasma clearance.
Unverzagt, C., Reif, A., Lam, K., Weidler, S., Lott, M., Boos, I., Lokau, J., Bretscher, C., Monnich, M., Perkams, L., Schmalzlein, M., Graf, C., Fischer, J.P., Lechner, C., Hallstein, K., Becker, S., Weyand, M., Steegborn, C., Schultheiss, G., Rose-John, S., Garbers, C.
Angew Chem Int Ed Engl (2021)
DOI: 10.1002/anie.202101496
PubMed ID: 33756033 - A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Eltschkner, S., Kehrein, J., Le, T.A., Davoodi, S., Merget, B., Basak, S., Weinrich, J.D., Schiebel, J., Tonge, P.J., Engels, B., Sotriffer, C., Kisker, C.
ACS Infect Dis 7, pp. 746 (2021)
DOI: 10.1021/acsinfecdis.0c00437
PubMed ID: 33710875 - A structural view on the stereospecificity of plant borneol-type dehydrogenases
Chanique, A.M., Dimos, N., Drienovska, I., Calderini, E., Pantin, M.P., Helmer, C.P.O., Hofer, M., Sieber, V., Parra, L.P., Loll, B., Kourist, R.
ChemCatChem 13, pp. 2262 (2021)
DOI: 10.1002/cctc.202100110 - Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
Bauder, M., Meyners, C., Purder, P.L., Merz, S., Sugiarto, W.O., Voll, A.M., Heymann, T., Hausch, F.
J Med Chem 64, pp. 3320 (2021)
DOI: 10.1021/acs.jmedchem.0c02195
PubMed ID: 33666419 - Binding site for activator MDL-801 on SIRT6.
You, W., Steegborn, C.
Nat Chem Biol 17, pp. 519 (2021)
DOI: 10.1038/s41589-021-00749-y
PubMed ID: 33649599 - Iripin-3, a New Salivary Protein Isolated From Ixodes ricinus Ticks, Displays Immunomodulatory and Anti-Hemostatic Properties In Vitro
Chlastakova, A., Kotal, J., Berankova, Z., Kascakova, B., Martins, L.A., Langhansova, H., Prudnikova, T., Ederova, M., Kotsyfakis, M., Chmelar, J.
Front Immunol 12, pp. 60 (2021)
DOI: 10.3389/fimmu.2021.626200 - The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
Schmidt, T.G.M., Eichinger, A., Schneider, M., Bonet, L., Carl, U., Karthaus, D., Theobald, I., Skerra, A.
J Mol Biol 433, pp. 166893 (2021)
DOI: 10.1016/j.jmb.2021.166893
PubMed ID: 33639211 - Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
Jansa, J., Jorda, R., Skerlova, J., Pachl, P., Perina, M., Reznickova, E., Heger, T., Gucky, T., Rezacova, P., Lycka, A., Krystof, V.
Eur J Med Chem 216, pp. 113309 (2021)
DOI: 10.1016/j.ejmech.2021.113309
PubMed ID: 33711765 - Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Pastor, M., Czapinska, H., Helbrecht, I., Krakowska, K., Lutz, T., Xu, S.Y., Bochtler, M.
Nucleic Acids Res 49, pp. 1708 (2021)
DOI: 10.1093/nar/gkaa1218
PubMed ID: 33450012 - Crystal structures of adenylylated and unadenylylated P II protein GlnK from Corynebacterium glutamicum.
Grau, F.C., Burkovski, A., Muller, Y.A.
Acta Crystallogr D Struct Biol 77, pp. 325 (2021)
DOI: 10.1107/s2059798321000735
PubMed ID: 33645536 - The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2.
Mazur, A., Prudnikova, T., Grinkevich, P., Mesters, J.R., Mrazova, D., Chaloupkova, R., Damborsky, J., Kuty, M., Kolenko, P., Kuta Smatanova, I.
Acta Crystallogr D Struct Biol 77, pp. 347 (2021)
DOI: 10.1107/s2059798321000486
PubMed ID: 33645538 - An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Lechner, H., Emann, V.R., Breuning, M., Hocker, B.
Chembiochem 22, pp. 1573 (2021)
DOI: 10.1002/cbic.202000880
PubMed ID: 33400831 - Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Scheithauer, L., Thiem, S., Schmelz, S., Dellmann, A., Bussow, K., Brouwer, R.M.H.J., Unal, C.M., Blankenfeldt, W., Steinert, M.
Cell Microbiol 23, pp. e13313 (2021)
DOI: 10.1111/cmi.13313
PubMed ID: 33491325 - The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Lam van, T.V., Heindl, M.R., Schlutt, C., Bottcher-Friebertshauser, E., Bartenschlager, R., Klebe, G., Brandstetter, H., Dahms, S.O., Steinmetzer, T.
ACS Med Chem Lett 12, pp. 426 (2021)
DOI: 10.1021/acsmedchemlett.0c00651
PubMed ID: 33732412 - Protein Binder (ProBi) as a New Class of Structurally Robust Non-Antibody Protein Scaffold for Directed Evolution.
Pham, P.N., Huliciak, M., Biedermannova, L., Cerny, J., Charnavets, T., Fuertes, G., Herynek, S., Kolarova, L., Kolenko, P., Pavlicek, J., Zahradnik, J., Mikulecky, P., Schneider, B.
Viruses 13, pp. 190 (2021)
DOI: 10.3390/v13020190
PubMed ID: 33514045 - Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Moosmayer, D., Hilpmann, A., Hoffmann, J., Schnirch, L., Zimmermann, K., Badock, V., Furst, L., Eaton, J.K., Viswanathan, V.S., Schreiber, S.L., Gradl, S., Hillig, R.C.
Acta Crystallogr D Struct Biol 77, pp. 237 (2021)
DOI: 10.1107/s2059798320016125
PubMed ID: 33559612 - Porphyromonas gingivalis fimbrial protein Mfa5 contains a von Willebrand factor domain and an intramolecular isopeptide.
Heidler, T.V., Ernits, K., Ziolkowska, A., Claesson, R., Persson, K.
Commun Biol 4, pp. 106 (2021)
DOI: 10.1038/s42003-020-01621-w
PubMed ID: 33495563 - Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Zeelen, J., van Straaten, M., Verdi, J., Hempelmann, A., Hashemi, H., Perez, K., Jeffrey, P.D., Halg, S., Wiedemar, N., Maser, P., Papavasiliou, F.N., Stebbins, C.E.
Nat Microbiol 6, pp. 392 (2021)
DOI: 10.1038/s41564-020-00844-1
PubMed ID: 33462435 - Pantoea stewartii WceF is a glycan biofilm modifying enzyme with a bacteriophage tailspike-like fold.
Irmscher, T., Roske, Y., Gayk, I., Dunsing, V., Chiantia, S., Heinemann, U., Barbirz, S.
J Biol Chem , pp. 100286 (2021)
DOI: 10.1016/j.jbc.2021.100286
PubMed ID: 33450228 - A skipping rope translocation mechanism in a widespread family of DNA repair helicases.
Roske, J.J., Liu, S., Loll, B., Neu, U., Wahl, M.C.
Nucleic Acids Res 49, pp. 504 (2021)
DOI: 10.1093/nar/gkaa1174
PubMed ID: 33300032 - Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Chaoprasid, P., Lukat, P., Muhlen, S., Heidler, T., Gazdag, E.M., Dong, S., Bi, W., Ruter, C., Kirchenwitz, M., Steffen, A., Jansch, L., Stradal, T.E.B., Dersch, P., Blankenfeldt, W.
EMBO J 40, pp. e105202 (2021)
DOI: 10.15252/embj.2020105202
PubMed ID: 33410511 - Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
Sharif, E.U., Kalisiak, J., Lawson, K.V., Miles, D.H., Newcomb, E., Lindsey, E.A., Rosen, B.R., Debien, L.P.P., Chen, A., Zhao, X., Young, S.W., Walker, N.P., Strater, N., Scaletti, E.R., Jin, L., Xu, G., Leleti, M.R., Powers, J.P.
J Med Chem 64, pp. 845 (2021)
DOI: 10.1021/acs.jmedchem.0c01835
PubMed ID: 33399453 - Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members.
Telzerow, A., Paris, J., Hakansson, M., Gonzalez-Sabin, J., Rios-Lombardia, N., Groger, H., Moris, F., Schurmann, M., Schwab, H., Steiner, K.
Chembiochem 22, pp. 1232 (2021)
DOI: 10.1002/cbic.202000692
PubMed ID: 33242357 - Development of ADPribosyl Ubiquitin Analogues to Study Enzymes Involved in Legionella Infection.
Kim, R.Q., Misra, M., Gonzalez, A., Tomaskovic, I., Shin, D., Schindelin, H., Filippov, D.V., Ovaa, H., Dikic, I., van der Heden van Noort, G.J.
Chemistry 27, pp. 2506 (2021)
DOI: 10.1002/chem.202004590
PubMed ID: 33075184 - Description of Transport Tunnel in Haloalkane Dehalogenase Variant LinB D147C+L177C from Sphingobium japonicum
Iermak, I., Degtjarik, O., Havlickova, P., Kuty, M., Chaloupkova, R., Damborsky, J., Prudnikova, T., Kuta Smatanova, I.
Catalysts 11, pp. 5 (2021)
DOI: 10.3390/catal11010005 - A homodimeric bacterial exo-beta-1,3-glucanase derived from moose rumen microbiome shows a structural framework similar to yeast exo-beta-1,3-glucanases.
Kalyani, D.C., Reichenbach, T., Aspeborg, H., Divne, C.
Enzyme Microb Technol 143, pp. 109723 (2021)
DOI: 10.1016/j.enzmictec.2020.109723
PubMed ID: 33375982 - Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Muller, H., Godehard, S.P., Palm, G.J., Berndt, L., Badenhorst, C.P.S., Becker, A.K., Lammers, M., Bornscheuer, U.T.
Angew Chem Int Ed Engl 60, pp. 2013 (2021)
DOI: 10.1002/anie.202014169
PubMed ID: 33140887 - Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Wienen-Schmidt, B., Oebbeke, M., Ngo, K., Heine, A., Klebe, G.
ChemMedChem 16, pp. 292 (2021)
DOI: 10.1002/cmdc.202000565
PubMed ID: 33029876 - Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Oebbeke, M., Siefker, C., Wagner, B., Heine, A., Klebe, G.
Angew Chem Int Ed Engl 60, pp. 252 (2021)
DOI: 10.1002/anie.202011295
PubMed ID: 33021032 - Biochemical and Structural Characterization of an Unusual and Naturally Split Class 3 Intein.
Hoffmann, S., Terhorst, T.M.E., Singh, R.K., Kummel, D., Pietrokovski, S., Mootz, H.D.
Chembiochem 22, pp. 364 (2021)
DOI: 10.1002/cbic.202000509
PubMed ID: 32813312 - Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Gruner, B., Kugler, M., El Anwar, S., Holub, J., Nekvinda, J., Bavol, D., Ruzickova, Z., Pospisilova, K., Fabry, M., Kral, V., Brynda, J., Rezacova, P.
Chempluschem 86, pp. 352 (2021)
DOI: 10.1002/cplu.202000574
PubMed ID: 32955786 - Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Fujdiarova, E., Houser, J., Dobes, P., Paulikova, G., Kondakov, N., Kononov, L., Hyrsl, P., Wimmerova, M.
FEBS J 288, pp. 1343 (2021)
DOI: 10.1111/febs.15457
PubMed ID: 32559333
2020
- The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
Kugler, M., Holub, J., Brynda, J., Pospisilova, K., Anwar, S.E., Bavol, D., Havranek, M., Kral, V., Fabry, M., Gruner, B., Rezacova, P.
J Enzyme Inhib Med Chem 35, pp. 1800 (2020)
DOI: 10.1080/14756366.2020.1816996
PubMed ID: 32962427 - A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Kroger, P., Shanmugaratnam, S., Ferruz, N., Schweimer, K., Hocker, B.
Structure 29, pp. 433 (2020)
DOI: 10.1016/j.str.2020.12.005
PubMed ID: 33406388 - Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Wilk, P., Kuska, K., Wator, E., Malecki, P.H., Wos, K., Tokarz, P., Dubin, G., Grudnik, P.
Int J Mol Sci 21, pp. 9570 (2020)
DOI: 10.3390/ijms21249570
PubMed ID: 33339113 - Triggering Closure of a Sialic Acid TRAP Transporter Substrate Binding Protein through Binding of Natural or Artificial Substrates.
Peter, M.F., Gebhardt, C., Glaenzer, J., Schneberger, N., de Boer, M., Thomas, G.H., Cordes, T., Hagelueken, G.
J Mol Biol 433, pp. 166756 (2020)
DOI: 10.1016/j.jmb.2020.166756
PubMed ID: 33316271 - Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor
Jilkova, A., Rezacova, P., Pachl, P., Fanfrlik, J., Rubesova, P., Guetschow, M., Mares, M.
ACS Infect Dis 7, pp. 189 (2020)
DOI: 10.1021/acsinfecdis.0c00644 - The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
Raz, K., Driller, R., Dimos, N., Ringel, M., Bruck, T., Loll, B., Major, D.T.
J Am Chem Soc 142, pp. 21562 (2020)
DOI: 10.1021/jacs.0c11348
PubMed ID: 33289561 - The high catalytic rate of the cold-active Vibrio alkaline phosphatase requires a hydrogen bonding network involving a large interface loop.
Hjorleifsson, J.G., Helland, R., Magnusdottir, M., Asgeirsson, B.
FEBS Open Bio 11, pp. 173 (2020)
DOI: 10.1002/2211-5463.13041
PubMed ID: 33197282 - How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH.
Kappenberger, J., Koelmel, W., Schoenwetter, E., Scheuer, T., Woerner, J., Kuper, J., Kisker, C.
Nucleic Acids Res 48, pp. 12282 (2020)
DOI: 10.1093/nar/gkaa911
PubMed ID: 33196848 - Systematic "foldamerization" of peptide inhibiting p53-MDM2/X interactions by the incorporation of trans- or cis-2-aminocyclopentanecarboxylic acid residues
Fortuna, P., Twarda-Clapa, A., Skalniak, L., Ozga, K., Holak, T.A., Berlicki, L.
European Journal Of Medicinal Chemistry 208, pp. 112814 (2020)
DOI: 10.1016/j.ejmech.2020.112814 - The hypothetical periplasmic protein PA1624 from Pseudomonas aeruginosa folds into a unique two-domain structure.
Feiler, C.G., Weiss, M.S., Blankenfeldt, W.
Acta Crystallogr F Struct Biol Commun 76, pp. 609 (2020)
DOI: 10.1107/s2053230x20014612
PubMed ID: 33263573 - Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Kolenko, P., Svoboda, J., Cerny, J., Charnavets, T., Schneider, B.
Acta Crystallogr D Struct Biol 76, pp. 1233 (2020)
DOI: 10.1107/s2059798320014151
PubMed ID: 33263329 - A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
Picado, A., Chaikuad, A., Wells, C.I., Shrestha, S., Zuercher, W.J., Pickett, J.E., Kwarcinski, F.E., Sinha, P., de Silva, C.S., Zutshi, R., Liu, S., Kannan, N., Knapp, S., Drewry, D.H., Willson, T.M.
J Med Chem 63, pp. 14626 (2020)
DOI: 10.1021/acs.jmedchem.0c01174
PubMed ID: 33215924 - Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
Wanior, M., Preuss, F., Ni, X., Kramer, A., Mathea, S., Gobel, T., Heidenreich, D., Simonyi, S., Kahnt, A.S., Joerger, A.C., Knapp, S.
J Med Chem 63, pp. 14680 (2020)
DOI: 10.1021/acs.jmedchem.0c01242
PubMed ID: 33216538 - Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Barone, M., Muller, M., Chiha, S., Ren, J., Albat, D., Soicke, A., Dohmen, S., Klein, M., Bruns, J., van Dinther, M., Opitz, R., Lindemann, P., Beerbaum, M., Motzny, K., Roske, Y., Schmieder, P., Volkmer, R., Nazare, M., Heinemann, U., Oschkinat, H., Ten Dijke, P., Schmalz, H.G., Kuhne, R.
Proc Natl Acad Sci U S A 117, pp. 29684 (2020)
DOI: 10.1073/pnas.2007213117
PubMed ID: 33184177 - Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.
Jilkova, A., Rubesova, P., Fanfrlik, J., Fajtova, P., Rezacova, P., Brynda, J., Lepsik, M., Mertlikova-Kaiserova, H., Emal, C.D., Renslo, A.R., Roush, W.R., Horn, M., Caffrey, C.R., Mares, M.
ACS Infect Dis (2020)
DOI: 10.1021/acsinfecdis.0c00501
PubMed ID: 33175511 - structural characterization of the interaction between the C-terminal domain of the influenza polymerase PA subunit and an optimized small peptide inhibitor.
Hejdanek, J., Radilova, K., Pachl, P., Hodek, J., Machara, A., Weber, J., Rezacova, P., Konvalinka, J., Kozisek, M.
Antiviral Res 185, pp. 104971 (2020)
DOI: 10.1016/j.antiviral.2020.104971
PubMed ID: 33166574 - Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins.
Lentini Santo, D., Petrvalska, O., Obsilova, V., Ottmann, C., Obsil, T.
ACS Chem Biol 15, pp. 3060 (2020)
DOI: 10.1021/acschembio.0c00821
PubMed ID: 33146997 - Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer.
Ptacek, J., Zhang, D., Qiu, L., Kruspe, S., Motlova, L., Kolenko, P., Novakova, Z., Shubham, S., Havlinova, B., Baranova, P., Chen, S.J., Zou, X., Giangrande, P., Barinka, C.
Nucleic Acids Res 48, pp. 11130 (2020)
DOI: 10.1093/nar/gkaa494
PubMed ID: 32525981 - Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Nekvinda, J., Kugler, M., Holub, J., El Anwar, S., Brynda, J., Pospisilova, K., Ruzickova, Z., Rezacova, P., Gruner, B.
Chemistry 26, pp. 16541 (2020)
DOI: 10.1002/chem.202002809
PubMed ID: 32757220 - Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Grunwald, S., Hopf, L.V.M., Bock-Bierbaum, T., Lally, C.C.M., Spahn, C.M.T., Daumke, O.
Nat Commun 11, pp. 5506 (2020)
DOI: 10.1038/s41467-020-19321-8
PubMed ID: 33139728 - The interaction of DNA repair factors ASCC2 and ASCC3 is affected by somatic cancer mutations.
Jia, J., Absmeier, E., Holton, N., Pietrzyk-Brzezinska, A.J., Hackert, P., Bohnsack, K.E., Bohnsack, M.T., Wahl, M.C.
Nat Commun 11, pp. 5535 (2020)
DOI: 10.1038/s41467-020-19221-x
PubMed ID: 33139697 - 2.09 angstrom Resolution structure of E. coli HigBA toxin-antitoxin complex reveals an ordered DNA-binding domain and intrinsic dynamics in antitoxin.
Jadhav, P.V., Sinha, V.K., Chugh, S., Kotyada, C., Bachhav, D., Singh, R., Rothweiler, U., Singh, M.
Biochem J 477, pp. 4001 (2020)
DOI: 10.1042/bcj20200363
PubMed ID: 33000860 - Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
Hillisch, A., Gericke, K.M., Allerheiligen, S., Roehrig, S., Schaefer, M., Tersteegen, A., Schulz, S., Lienau, P., Gnoth, M., Puetter, V., Hillig, R.C., Heitmeier, S.
J Med Chem 63, pp. 12574 (2020)
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PubMed ID: 33108181 - Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.
Koralewski, R., Dymek, B., Mazur, M., Sklepkiewicz, P., Olejniczak, S., Czestkowski, W., Matyszewski, K., Andryianau, G., Niedziejko, P., Kowalski, M., Gruza, M., Borek, B., Jedrzejczak, K., Bartoszewicz, A., Pluta, E., Rymaszewska, A., Kania, M., Rejczak, T., Piasecka, S., Mlacki, M., Mazurkiewicz, M., Piotrowicz, M., Salamon, M., Zagozdzon, A., Napiorkowska-Gromadzka, A., Bartlomiejczak, A., Mozga, W., Dobrzanski, P., Dzwonek, K., Golab, J., Nowotny, M., Olczak, J., Golebiowski, A.
J Med Chem 63, pp. 15527 (2020)
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PubMed ID: 33078933 - Crystal structure and enzymatic characterization of the putative adenylyl cyclase HpAC1 from Hippeastrum reveal dominant triphosphatase activity.
Kleinboelting, S., Miehling, J., Steegborn, C.
J Struct Biol 212, pp. 107649 (2020)
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PubMed ID: 33075486 - Structural basis for CDK7 activation by MAT1 and Cyclin H.
Peissert, S., Schlosser, A., Kendel, R., Kuper, J., Kisker, C.
Proc Natl Acad Sci U S A 117, pp. 26739 (2020)
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PubMed ID: 33055219 - Insulin polymorphism induced by two polyphenols: new crystal forms and advances in macromolecular powder diffraction.
Triandafillidis, D.P., Parthenios, N., Spiliopoulou, M., Valmas, A., Kosinas, C., Gozzo, F., Reinle-Schmitt, M., Beckers, D., Degen, T., Pop, M., Fitch, A.N., Wollenhaupt, J., Weiss, M.S., Karavassili, F., Margiolaki, I.
Acta Crystallogr D Struct Biol 76, pp. 1065 (2020)
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PubMed ID: 33135678 - Crystal structure of tomato spotted wilt virus G N reveals a dimer complex formation and evolutionary link to animal-infecting viruses
Bahat, Y., Alter, J., Dessau, M.
Proc Natl Acad Sci U S A 117, pp. 26237 (2020)
DOI: 10.1073/pnas.2004657117 - Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center.
Selikhanov, G., Fufina, T., Vasilieva, L., Betzel, C., Gabdulkhakov, A.
IUCrJ 7, pp. 1084 (2020)
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PubMed ID: 33209319 - Structural Basis for Activation of Human Sirtuin 6 by Fluvastatin.
You, W., Steegborn, C.
ACS Med Chem Lett 11, pp. 2285 (2020)
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PubMed ID: 33214841 - Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine.
Malik, D., Kobylecki, K., Krawczyk, P., Poznanski, J., Jakielaszek, A., Napiorkowska, A., Dziembowski, A., Tomecki, R., Nowotny, M.
Nucleic Acids Res 48, pp. 9387 (2020)
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PubMed ID: 32785623 - Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Austin, M., Burschowsky, D., Chan, D.T.Y., Jenkinson, L., Haynes, S., Diamandakis, A., Seewooruthun, C., Addyman, A., Fiedler, S., Ryman, S., Whitehouse, J., Slater, L.H., Hadjinicolaou, A.V., Gileadi, U., Gowans, E., Shibata, Y., Barnard, M., Kaserer, T., Sharma, P., Luheshi, N.M., Wilkinson, R.W., Vaughan, T.J., Holt, S.V., Cerundolo, V., Carr, M.D., Groves, M.A.T.
MAbs 12, pp. 1801230 (2020)
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PubMed ID: 32880207 - Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Rumnieks, J., Lieknina, I., Kalnins, G., Sisovs, M., Akopjana, I., Bogans, J., Tars, K.
Sci Adv 6, pp. eabc0023 (2020)
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PubMed ID: 32917600 - Rational Design of Suprastat: A Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models.
Noonepalle, S., Shen, S., Ptacek, J., Tavares, M.T., Zhang, G., Stransky, J., Pavlicek, J., Ferreira, G.M., Hadley, M., Pelaez, G., Barinka, C., Kozikowski, A.P., Villagra, A.
J Med Chem 63, pp. 10246 (2020)
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PubMed ID: 32815366 - DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
Schroder, M., Bullock, A.N., Fedorov, O., Bracher, F., Chaikuad, A., Knapp, S.
J Med Chem 63, pp. 10224 (2020)
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PubMed ID: 32787076 - Continuous Assembly of beta-Roll Structures Is Implicated in the Type I-Dependent Secretion of Large Repeat-in-Toxins (RTX) Proteins.
Motlova, L., Klimova, N., Fiser, R., Sebo, P., Bumba, L.
J Mol Biol 432, pp. 5696 (2020)
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PubMed ID: 32860773 - Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Rohm, S., Schroder, M., Dwyer, J.E., Widdowson, C.S., Chaikuad, A., Berger, B.T., Joerger, A.C., Kramer, A., Harbig, J., Dauch, D., Kudolo, M., Laufer, S., Bagley, M.C., Knapp, S.
Eur J Med Chem 208, pp. 112721 (2020)
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PubMed ID: 33035818 - Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae.
Mazurkewich, S., Helland, R., Mackenzie, A., Eijsink, V.G.H., Pope, P.B., Branden, G., Larsbrink, J.
Sci Rep 10, pp. 13775 (2020)
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PubMed ID: 32792608 - Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Ni, X., Knapp, S., Chaikuad, A.
Sci Rep 10, pp. 13459 (2020)
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PubMed ID: 32778776 - Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Leiros, H.S., Thomassen, A.M., Samuelsen, O., Flach, C.F., Kotsakis, S.D., Larsson, D.G.J.
FEBS Open Bio 10, pp. 1821 (2020)
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PubMed ID: 32683794 - Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family.
Stroh, L.J., Rustmeier, N.H., Blaum, B.S., Botsch, J., Rossler, P., Wedekink, F., Lipkin, W.I., Mishra, N., Stehle, T.
mBio 11 (2020)
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PubMed ID: 32723915 - Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Rutkiewicz, M., Wanarska, M., Bujacz, A.
Int J Mol Sci 21, pp. 5354 (2020)
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PubMed ID: 32731412 - The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Houser, J., Kozmon, S., Mishra, D., Hammerova, Z., Wimmerova, M., Koca, J.
Chemistry 26, pp. 10769 (2020)
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PubMed ID: 32208534 - Conformational changes of DNA repair glycosylase MutM triggered by DNA binding.
Landova, B., Silhan, J.
FEBS Lett 594, pp. 3032 (2020)
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PubMed ID: 32598485 - Discovery of AB680: A Potent and Selective Inhibitor of CD73.
Lawson, K.V., Kalisiak, J., Lindsey, E.A., Newcomb, E.T., Leleti, M.R., Debien, L., Rosen, B.R., Miles, D.H., Sharif, E.U., Jeffrey, J.L., Tan, J.B.L., Chen, A., Zhao, S., Xu, G., Fu, L., Jin, L., Park, T.W., Berry, W., Moschutz, S., Scaletti, E., Strater, N., Walker, N.P., Young, S.W., Walters, M.J., Schindler, U., Powers, J.P.
J Med Chem 63, pp. 11448 (2020)
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PubMed ID: 32614585 - Development of a chemical probe against NUDT15.
Zhang, S.M., Desroses, M., Hagenkort, A., Valerie, N.C.K., Rehling, D., Carter, M., Wallner, O., Koolmeister, T., Throup, A., Jemth, A.S., Almlof, I., Loseva, O., Lundback, T., Axelsson, H., Regmi, S., Sarno, A., Kramer, A., Pudelko, L., Brautigam, L., Rasti, A., Gottmann, M., Wiita, E., Kutzner, J., Schaller, T., Kalderen, C., Cazares-Korner, A., Page, B.D.G., Krimpenfort, R., Eshtad, S., Altun, M., Rudd, S.G., Knapp, S., Scobie, M., Homan, E.J., Berglund, U.W., Stenmark, P., Helleday, T.
Nat Chem Biol 16, pp. 1120 (2020)
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PubMed ID: 32690945 - Functional reprogramming ofCandida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding.
Hoffmann, D., Diderrich, R., Reithofer, V., Friederichs, S., Kock, M., Essen, L.O., Mosch, H.U.
J Biol Chem 295, pp. 12512 (2020)
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PubMed ID: 32669365 - Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
Lindenblatt, D., Nickelsen, A., Applegate, V.M., Jose, J., Niefind, K.
J Med Chem 63, pp. 7766 (2020)
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PubMed ID: 32589844 - Co-expression with chaperones can affect protein 3D structure as exemplified by loss-of-function variants of human prolidase.
Wator, E., Rutkiewicz, M., Weiss, M.S., Wilk, P.
FEBS Lett 594, pp. 3045 (2020)
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PubMed ID: 32598484 - Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation.
Kisiala, M., Kowalska, M., Pastor, M., Korza, H.J., Czapinska, H., Bochtler, M.
Nucleic Acids Res 48, pp. 6954 (2020)
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PubMed ID: 32459314 - RIM-binding protein couples synaptic vesicle recruitment to release sites.
Petzoldt, A.G., Gotz, T.W.B., Driller, J.H., Lutzkendorf, J., Reddy-Alla, S., Matkovic-Rachid, T., Liu, S., Knoche, E., Mertel, S., Ugorets, V., Lehmann, M., Ramesh, N., Beuschel, C.B., Kuropka, B., Freund, C., Stelzl, U., Loll, B., Liu, F., Wahl, M.C., Sigrist, S.J.
J Cell Biol 219 (2020)
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PubMed ID: 32369542 - Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization.
Schiefner, A., Walser, R., Gebauer, M., Skerra, A.
Acta Crystallogr F Struct Biol Commun 76, pp. 320 (2020)
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PubMed ID: 32627748 - Structure of apo flavin-dependent halogenase Xcc4156 hints at a reason for cofactor-soaking difficulties.
Widmann, C., Ismail, M., Sewald, N., Niemann, H.H.
Acta Crystallogr D Struct Biol 76, pp. 687 (2020)
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PubMed ID: 32627741 - Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Braun, N.J., Quek, J.P., Huber, S., Kouretova, J., Rogge, D., Lang-Henkel, H., Cheong, E.Z.K., Chew, B.L.A., Heine, A., Luo, D., Steinmetzer, T.
ChemMedChem 15, pp. 1439 (2020)
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PubMed ID: 32501637 - Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT.
Hassaan, E., Hohn, C., Ehrmann, F.R., Goetzke, F.W., Movsisyan, L., Hufner-Wulsdorf, T., Sebastiani, M., Hartsch, A., Reuter, K., Diederich, F., Klebe, G.
J Med Chem 63, pp. 6802 (2020)
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PubMed ID: 32515955 - A secreted LysM effector protects fungal hyphae through chitin-dependent homodimer polymerization.
Sanchez-Vallet, A., Tian, H., Rodriguez-Moreno, L., Valkenburg, D.J., Saleem-Batcha, R., Wawra, S., Kombrink, A., Verhage, L., de Jonge, R., van Esse, H.P., Zuccaro, A., Croll, D., Mesters, J.R., Thomma, B.P.H.J.
PLoS Pathog 16, pp. e1008652 (2020)
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PubMed ID: 32574207 - Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
Fromont, C., Atzori, A., Kaur, D., Hashmi, L., Greco, G., Cabanillas, A., Nguyen, H.V., Jones, D.H., Garzon, M., Varela, A., Stevenson, B., Iacobini, G.P., Lenoir, M., Rajesh, S., Box, C., Kumar, J., Grant, P., Novitskaya, V., Morgan, J., Sorrell, F.J., Redondo, C., Kramer, A., Harris, C.J., Leighton, B., Vickers, S.P., Cheetham, S.C., Kenyon, C., Grabowska, A.M., Overduin, M., Berditchevski, F., Weston, C.J., Knapp, S., Fischer, P.M., Butterworth, S.
J Med Chem 63, pp. 6784 (2020)
DOI: 10.1021/acs.jmedchem.9b01803
PubMed ID: 32433887 - A new modulated crystal structure of the ANS complex of the St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell.
Smietanska, J., Sliwiak, J., Gilski, M., Dauter, Z., Strzalka, R., Wolny, J., Jaskolski, M.
Acta Crystallogr D Struct Biol 76, pp. 653 (2020)
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PubMed ID: 32627738 - Design of a surrogate Anticalin protein directed against CD98hc for preclinical studies in mice.
Deuschle, F.C., Schiefner, A., Brandt, C., Skerra, A.
Protein Sci 29, pp. 1774 (2020)
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PubMed ID: 32463547 - Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Frydenvang, K., Pickering, D.S., Kshirsagar, G.U., Chemi, G., Gemma, S., Sprogoe, D., Kærn, A.M., Brogi, S., Campiani, G., Butini, S., Kastrup, J.S.
ACS Chem Neurosci 11, pp. 1791 (2020)
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PubMed ID: 32437601 - Structure of the TSC2 GAP Domain: Mechanistic Insight into Catalysis and Pathogenic Mutations.
Hansmann, P., Bruckner, A., Kiontke, S., Berkenfeld, B., Seebohm, G., Brouillard, P., Vikkula, M., Jansen, F.E., Nellist, M., Oeckinghaus, A., Kummel, D.
Structure 28, pp. 933 (2020)
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PubMed ID: 32502382 - Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
D'Andrea, E.D., Roske, Y., Oliveira, G.A.P., Cremer, N., Diehl, A., Schmieder, P., Heinemann, U., Oschkinat, H., Pires, J.R.
J Struct Biol 211, pp. 107536 (2020)
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PubMed ID: 32473201 - Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Friberg, A., Rehwinkel, H., Nguyen, D., Putter, V., Quanz, M., Weiske, J., Eberspacher, U., Heisler, I., Langer, G.
ACS Omega 5, pp. 13034 (2020)
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PubMed ID: 32548488 - Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
Tykvart, J., Navratil, V., Kugler, M., Sacha, P., Schimer, J., Hlavackova, A., Tenora, L., Zemanova, J., Dejmek, M., Kral, V., Potacek, M., Majer, P., Jahn, U., Brynda, J., Rezacova, P., Konvalinka, J.
SLAS Discov 25, pp. 1026 (2020)
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PubMed ID: 32452709 - Crystal structure of a class III adenylyl cyclase-like ATP-binding protein from Pseudomonas aeruginosa.
Linder, J., Hupfeld, E., Weyand, M., Steegborn, C., Moniot, S.
J Struct Biol 211, pp. 107534 (2020)
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PubMed ID: 32454240 - Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
Hanke, S., Tindall, C.A., Pippel, J., Ulbricht, D., Pirotte, B., Reboud-Ravaux, M., Heiker, J.T., Strater, N.
J Med Chem 63, pp. 5723 (2020)
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PubMed ID: 32374603 - Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
Dvoranova, J., Kugler, M., Holub, J., Sicha, V., Das, V., Nekvinda, J., El Anwar, S., Havranek, M., Pospisilova, K., Fabry, M., Kral, V., Medvedikova, M., Matejkova, S., Liskova, B., Gurska, S., Dzubak, P., Brynda, J., Hajduch, M., Gruner, B., Rezacova, P.
Eur J Med Chem 200, pp. 112460 (2020)
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PubMed ID: 32505851 - Crystal structures and RNA-binding properties of Lsm proteins from archaea Sulfolobus acidocaldarius and Methanococcus vannielii: Similarity and difference of the U-binding mode.
Lekontseva, N., Mikhailina, A., Fando, M., Kravchenko, O., Balobanov, V., Tishchenko, S., Nikulin, A.
Biochimie 175, pp. 1 (2020)
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PubMed ID: 32422160 - F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G., Weiss, M.S.
Structure 28, pp. 694 (2020)
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PubMed ID: 32413289 - Degradation of the microbial stress protectants and chemical chaperones ectoine and hydroxyectoine by a bacterial hydrolase-deacetylase complex.
Mais, C.N., Hermann, L., Altegoer, F., Seubert, A., Richter, A.A., Wernersbach, I., Czech, L., Bremer, E., Bange, G.
J Biol Chem 295, pp. 9087 (2020)
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PubMed ID: 32404365 - Sequence-Based Prediction of Promiscuous Acyltransferase Activity in Hydrolases.
Muller, H., Becker, A.K., Palm, G.J., Berndt, L., Badenhorst, C.P.S., Godehard, S.P., Reisky, L., Lammers, M., Bornscheuer, U.T.
Angew Chem Int Ed Engl 59, pp. 11607 (2020)
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PubMed ID: 32243661 - A Snu114-GTP-Prp8 module forms a relay station for efficient splicing in yeast.
Jia, J., Ganichkin, O.M., Preussner, M., Absmeier, E., Alings, C., Loll, B., Heyd, F., Wahl, M.C.
Nucleic Acids Res 48, pp. 4572 (2020)
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PubMed ID: 32196113 - Structural insights into photoactivation and signalling in plant phytochromes.
Nagano, S., Guan, K., Shenkutie, S.M., Feiler, C., Weiss, M., Kraskov, A., Buhrke, D., Hildebrandt, P., Hughes, J.
Nat Plants 6, pp. 581 (2020)
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PubMed ID: 32366982 - Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Raczynska, J.E., Imiolczyk, B., Komorowska, M., Sliwiak, J., Czyrko-Horczak, J., Brzezinski, K., Jaskolski, M.
Int J Biol Macromol 158, pp. 104 (2020)
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PubMed ID: 32353499 - Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
Schulze, V.K., Klar, U., Kosemund, D., Wengner, A.M., Siemeister, G., Stockigt, D., Neuhaus, R., Lienau, P., Bader, B., Prechtl, S., Holton, S.J., Briem, H., Marquardt, T., Schirok, H., Jautelat, R., Bohlmann, R., Nguyen, D., Fernandez-Montalvan, A.E., Bomer, U., Eberspaecher, U., Bruning, M., Dohr, O., Raschke, M., Kreft, B., Mumberg, D., Ziegelbauer, K., Brands, M., von Nussbaum, F., Koppitz, M.
J Med Chem 63, pp. 8025 (2020)
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PubMed ID: 32338514 - Methylation of Salmonella Typhimurium flagella promotes bacterial adhesion and host cell invasion.
Horstmann, J.A., Lunelli, M., Cazzola, H., Heidemann, J., Kuhne, C., Steffen, P., Szefs, S., Rossi, C., Lokareddy, R.K., Wang, C., Lemaire, L., Hughes, K.T., Uetrecht, C., Schluter, H., Grassl, G.A., Stradal, T.E.B., Rossez, Y., Kolbe, M., Erhardt, M.
Nat Commun 11, pp. 2013 (2020)
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PubMed ID: 32332720 - Domain sliding of two Staphylococcus aureus N-acetylglucosaminidases enables their substrate-binding prior to its catalysis.
Pintar, S., Borisek, J., Usenik, A., Perdih, A., Turk, D.
Commun Biol 3, pp. 178 (2020)
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PubMed ID: 32313083 - The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron.
Grave, K., Griese, J.J., Berggren, G., Bennett, M.D., Hogbom, M.
J Biol Inorg Chem 25, pp. 571 (2020)
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PubMed ID: 32296998 - Kin discrimination in social yeast is mediated by cell surface receptors of the Flo11 adhesin family.
Bruckner, S., Schubert, R., Kraushaar, T., Hartmann, R., Hoffmann, D., Jelli, E., Drescher, K., Muller, D.J., Oliver Essen, L., Mosch, H.U.
Elife 9, pp. e55587 (2020)
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PubMed ID: 32286952 - Origins of the Increased Affinity of Phosphorothioate-Modified Therapeutic Nucleic Acids for Proteins.
Hyjek-Skladanowska, M., Vickers, T.A., Napiorkowska, A., Anderson, B.A., Tanowitz, M., Crooke, S.T., Liang, X.H., Seth, P.P., Nowotny, M.
J Am Chem Soc 142, pp. 7456 (2020)
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PubMed ID: 32202774 - Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
Beatty, J.W., Lindsey, E.A., Thomas-Tran, R., Debien, L., Mandal, D., Jeffrey, J.L., Tran, A.T., Fournier, J., Jacob, S.D., Yan, X., Drew, S.L., Ginn, E., Chen, A., Pham, A.T., Zhao, S., Jin, L., Young, S.W., Walker, N.P., Leleti, M.R., Moschutz, S., Strater, N., Powers, J.P., Lawson, K.V.
J Med Chem 63, pp. 3935 (2020)
DOI: 10.1021/acs.jmedchem.9b01713
PubMed ID: 32212732 - Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Kluza, A., Wojdyla, Z., Mrugala, B., Kurpiewska, K., Porebski, P.J., Niedzialkowska, E., Minor, W., Weiss, M.S., Borowski, T.
Dalton Trans 49, pp. 4454 (2020)
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PubMed ID: 32182320 - X-Ray Structure and Molecular Dynamics Study of Uridine Phosphorylase from Vibrio cholerae in Complex with 2,2'-Anhydrouridine
Eistrikh-Geller, P.A., Rubinsky, S.V., Prokofev, I.I., Gabdoulkhakov, A.G., Mironov, A.S., Lashkov, A.A.
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Nucleic Acids Res 48, pp. 3366 (2020)
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ChemMedChem 15, pp. 827 (2020)
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PubMed ID: 32237114 - Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
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Biomolecules 10, pp. 522 (2020)
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PubMed ID: 32235505 - A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Glockner, S., Heine, A., Klebe, G.
Biomolecules 10, pp. 518 (2020)
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PubMed ID: 32235320 - The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
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Biomolecules 10, pp. 509 (2020)
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PubMed ID: 32230853 - Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Zhang, L., Lin, D., Sun, X., Curth, U., Drosten, C., Sauerhering, L., Becker, S., Rox, K., Hilgenfeld, R.
Science 368, pp. 409 (2020)
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PubMed ID: 32198291 - Substrate Interaction with the EssC Coupling Protein of the Type VIIb Secretion System.
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J Bacteriol 202 (2020)
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PubMed ID: 31964696 - Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.
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J Med Chem 63, pp. 3261 (2020)
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PubMed ID: 32097010 - Structural analysis of the outer surface proteins from Borrelia burgdorferi paralogous gene family 54 that are thought to be the key players in the pathogenesis of Lyme disease.
Brangulis, K., Akopjana, I., Petrovskis, I., Kazaks, A., Tars, K.
J Struct Biol 210, pp. 107490 (2020)
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PubMed ID: 32135236 - 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
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J Med Chem 63, pp. 2941 (2020)
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PubMed ID: 32045236 - Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding.
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PubMed ID: 32114262 - Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
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PubMed ID: 32045235 - Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
Ngo, K., Collins-Kautz, C., Gerstenecker, S., Wagner, B., Heine, A., Klebe, G.
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PubMed ID: 32011145 - Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
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ACS Chem Biol 15, pp. 675 (2020)
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PubMed ID: 32027480 - Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
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J Med Chem 63, pp. 1576 (2020)
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PubMed ID: 32003991 - Crystal structure of the catalytic C-lobe of the HECT-type ubiquitin ligase E6AP.
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Protein Sci 29, pp. 1550 (2020)
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PubMed ID: 31994269 - 14-3-3 protein binding blocks the dimerization interface of caspase-2.
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FEBS J 287, pp. 3494 (2020)
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PubMed ID: 31961068 - Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Hassaan, E., Eriksson, P.O., Geschwindner, S., Heine, A., Klebe, G.
ChemMedChem 15, pp. 324 (2020)
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PubMed ID: 31808981 - Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity.
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FEBS J 287, pp. 3315 (2020)
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PubMed ID: 31943739 - High-resolution crystal structures of two prototypical beta- and gamma-herpesviral nuclear egress complexes unravel the determinants of subfamily specificity.
Muller, Y.A., Hage, S., Alkhashrom, S., Hollriegl, T., Weigert, S., Dolles, S., Hof, K., Walzer, S.A., Egerer-Sieber, C., Conrad, M., Holst, S., Losing, J., Sonntag, E., Sticht, H., Eichler, J., Marschall, M.
J Biol Chem 295, pp. 3189 (2020)
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PubMed ID: 31980459 - The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
Scaletti, E., Claesson, M., Helleday, T., Jemth, A.S., Stenmark, P.
J Mol Biol 432, pp. 1126 (2020)
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PubMed ID: 31954130 - Development of a high affinity Anticalin®directed against human CD98hc for theranostic applications.
Deuschle, F.C., Morath, V., Schiefner, A., Brandt, C., Ballke, S., Reder, S., Steiger, K., Schwaiger, M., Weber, W., Skerra, A.
Theranostics 10, pp. 2172 (2020)
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PubMed ID: 32089738 - Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Zielinski, K., Sekula, B., Bujacz, A., Szymczak, I.
Chirality 32, pp. 334 (2020)
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PubMed ID: 31905261 - The inactive C-terminal cassette of the dual-cassette RNA helicase BRR2 both stimulates and inhibits the activity of the N-terminal helicase unit.
Vester, K., Santos, K.F., Kuropka, B., Weise, C., Wahl, M.C.
J Biol Chem 295, pp. 2097 (2020)
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PubMed ID: 31914407 - Structure of the active GGEEF domain of a diguanylate cyclase from Vibrio cholerae.
Chouhan, O.P., Roske, Y., Heinemann, U., Biswas, S.
Biochem Biophys Res Commun 523, pp. 287 (2020)
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PubMed ID: 31862141 - Molecular Mechanism Underlying Inhibition of Intrinsic ATPase Activity in a Ski2-like RNA Helicase.
Absmeier, E., Santos, K.F., Wahl, M.C.
Structure 28, pp. 236 (2020)
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PubMed ID: 31859026 - Structural basis for hijacking of the host ACBD3 protein by bovine and porcine enteroviruses and kobuviruses.
Smola, M., Horova, V., Boura, E., Klima, M.
Arch Virol 165, pp. 355 (2020)
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PubMed ID: 31845156 - Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Zender, M., Witzgall, F., Kiefer, A., Kirsch, B., Maurer, C.K., Kany, A.M., Xu, N., Schmelz, S., Borger, C., Blankenfeldt, W., Empting, M.
ChemMedChem 15, pp. 188 (2020)
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PubMed ID: 31709767 - Sulfoxides of sulfur-containing amino acids are suicide substrates of Citrobacter freundii methionine gamma-lyase. Structural bases of the enzyme inactivation.
Revtovich, S., Morozova, E., Kulikova, V., Koval, V., Anufrieva, N., Nikulin, A., Demidkina, T.
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PubMed ID: 31711941 - A Tetrahedral Boronic Acid Diester Formed by an Unnatural Amino Acid in the Ligand Pocket of an Engineered Lipocalin.
Sommer, C.A., Eichinger, A., Skerra, A.
Chembiochem 21, pp. 469 (2020)
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PubMed ID: 31390134 - Structural analysis of Borrelia burgdorferi periplasmic lipoprotein BB0365 involved in Lyme disease infection.
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FEBS Lett 594, pp. 317 (2020)
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PubMed ID: 31486526 - The N-terminal peptide of the transglutaminase-activating metalloprotease inhibitor from Streptomyces mobaraensis accommodates both inhibition and glutamine cross-linking sites.
Juettner, N.E., Schmelz, S., Anderl, A., Colin, F., Classen, M., Pfeifer, F., Scrima, A., Fuchsbauer, H.L.
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You, W., Zheng, W., Weiss, S., Chua, K.F., Steegborn, C.
Sci Rep 9, pp. 19176 (2019)
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PubMed ID: 31844103 - Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping.
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Nucleic Acids Res 47, pp. 11943 (2019)
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Nucleic Acids Res 47, pp. 11681 (2019)
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PubMed ID: 31584081 - Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile.
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J Med Chem 62, pp. 11194 (2019)
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PubMed ID: 31746599 - Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family.
Faltinek, L., Fujdiarova, E., Melicher, F., Houser, J., Kasakova, M., Kondakov, N., Kononov, L., Parkan, K., Vidal, S., Wimmerova, M.
Molecules 24, pp. 4540 (2019)
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PubMed ID: 31835851 - BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione.
Brangulis, K., Akopjana, I., Petrovskis, I., Kazaks, A., Zelencova, D., Jekabsons, A., Jaudzems, K., Tars, K.
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PubMed ID: 31785327 - Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
Novotna, B., Vanekova, L., Zavrel, M., Budesinsky, M., Dejmek, M., Smola, M., Gutten, O., Tehrani, Z.A., Pimkova Polidarova, M., Brazdova, A., Liboska, R., Stepanek, I., Vavrina, Z., Jandusik, T., Nencka, R., Rulisek, L., Boura, E., Brynda, J., Pav, O., Birkus, G.
J Med Chem 62, pp. 10676 (2019)
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PubMed ID: 31715099 - Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Mukherjee, S., Blaszczyk, L., Rypniewski, W., Falschlunger, C., Micura, R., Murata, A., Dohno, C., Nakatani, K., Kiliszek, A.
Nucleic Acids Res 47, pp. 10906 (2019)
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PubMed ID: 31566242 - Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase.
Ruggieri, F., Campillo-Brocal, J.C., Chen, S., Humble, M.S., Walse, B., Logan, D.T., Berglund, P.
Sci Rep 9, pp. 16946 (2019)
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PubMed ID: 31740704 - Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
Sandner, A., Hufner-Wulsdorf, T., Heine, A., Steinmetzer, T., Klebe, G.
J Med Chem 62, pp. 9753 (2019)
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PubMed ID: 31633354 - X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Ilina, Y., Lorent, C., Katz, S., Jeoung, J.H., Shima, S., Horch, M., Zebger, I., Dobbek, H.
Angew Chem Int Ed Engl 58, pp. 18710 (2019)
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PubMed ID: 31591784 - Allosteric Inhibition as a New Mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated Form of Coagulation Factor XI.
Schaefer, M., Buchmueller, A., Dittmer, F., Strassburger, J., Wilmen, A.
J Mol Biol 431, pp. 4817 (2019)
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PubMed ID: 31655039 - Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1.
Banchenko, S., Arumughan, A., Petrovic, S., Schwefel, D., Wanker, E.E., Roske, Y., Heinemann, U.
Structure 27, pp. 1830 (2019)
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PubMed ID: 31648844 - Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Paulikova, G., Houser, J., Kasakova, M., Oroszova, B., Bertolotti, B., Parkan, K., Moravcova, J., Wimmerova, M.
Sci Rep 9, pp. 14904 (2019)
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PubMed ID: 31624296 - Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
Gruner, B., Brynda, J., Das, V., Sicha, V., Stepankova, J., Nekvinda, J., Holub, J., Pospisilova, K., Fabry, M., Pachl, P., Kral, V., Kugler, M., Masek, V., Medvedikova, M., Matejkova, S., Nova, A., Liskova, B., Gurska, S., Dzubak, P., Hajduch, M., Rezacova, P.
J Med Chem 62, pp. 9560 (2019)
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PubMed ID: 31568723 - Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Szabo, E., Wilk, P., Nagy, B., Zambo, Z., Bui, D., Weichsel, A., Arjunan, P., Torocsik, B., Hubert, A., Furey, W., Montfort, W.R., Jordan, F., Weiss, M.S., Adam-Vizi, V., Ambrus, A.
Hum Mol Genet 28, pp. 3339 (2019)
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PubMed ID: 31334547 - Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Malecki, P.H., Ruger, N., Roatsch, M., Krylova, O., Link, A., Jung, M., Heinemann, U., Weiss, M.S.
ChemMedChem 14, pp. 1828 (2019)
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PubMed ID: 31475772 - Dinucleotide Degradation by REXO2 Maintains Promoter Specificity in Mammalian Mitochondria.
Nicholls, T.J., Spahr, H., Jiang, S., Siira, S.J., Koolmeister, C., Sharma, S., Kauppila, J.H.K., Jiang, M., Kaever, V., Rackham, O., Chabes, A., Falkenberg, M., Filipovska, A., Larsson, N.G., Gustafsson, C.M.
Mol Cell 76, pp. 784 (2019)
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PubMed ID: 31588022 - Crystal Structure of Kluyveromyces lactis Glucokinase ( Kl Glk1).
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Int J Mol Sci 20, pp. 4821 (2019)
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PubMed ID: 31569356 - The ALFA-tag is a highly versatile tool for nanobody-based bioscience applications.
Gotzke, H., Kilisch, M., Martinez-Carranza, M., Sograte-Idrissi, S., Rajavel, A., Schlichthaerle, T., Engels, N., Jungmann, R., Stenmark, P., Opazo, F., Frey, S.
Nat Commun 10, pp. 4403 (2019)
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PubMed ID: 31562305 - Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Chen, F., Lukat, P., Iqbal, A.A., Saile, K., Kaever, V., van den Heuvel, J., Blankenfeldt, W., Bussow, K., Pessler, F.
Proc Natl Acad Sci U S A 116, pp. 20644 (2019)
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PubMed ID: 31548418 - Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Koval, T., Svecova, L., Ostergaard, L.H., Skalova, T., Duskova, J., Hasek, J., Kolenko, P., Fejfarova, K., Stransky, J., Trundova, M., Dohnalek, J.
Sci Rep 9, pp. 13700 (2019)
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PubMed ID: 31548583 - Comparison of a retroviral protease in monomeric and dimeric states.
Wosicki, S., Gilski, M., Zabranska, H., Pichova, I., Jaskolski, M.
Acta Crystallogr D Struct Biol 75, pp. 904 (2019)
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PubMed ID: 31588922 - Structural and functional characterization of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica.
Kirchweger, P., Weiler, S., Egerer-Sieber, C., Blasl, A.T., Hoffmann, S., Schmidt, C., Sander, N., Merker, D., Gerlach, R.G., Hensel, M., Muller, Y.A.
Mol Microbiol 112, pp. 1403 (2019)
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PubMed ID: 31419359 - The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
Kleiner, D., Shmulevich, F., Zarivach, R., Shahar, A., Sharon, M., Ben-Nissan, G., Bershtein, S.
J Mol Biol 431, pp. 4796 (2019)
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PubMed ID: 31520601 - RuvC uses dynamic probing of the Holliday junction to achieve sequence specificity and efficient resolution.
Gorecka, K.M., Krepl, M., Szlachcic, A., Poznanski, J., Sponer, J., Nowotny, M.
Nat Commun 10, pp. 4102 (2019)
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PubMed ID: 31506434 - Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.
Shen, S., Hadley, M., Ustinova, K., Pavlicek, J., Knox, T., Noonepalle, S., Tavares, M.T., Zimprich, C.A., Zhang, G., Robers, M.B., Barinka, C., Kozikowski, A.P., Villagra, A.
J Med Chem 62, pp. 8557 (2019)
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PubMed ID: 31414801 - Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB.
Rutkiewicz, M., Bujacz, A., Wanarska, M., Wierzbicka-Wos, A., Cieslinski, H.
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PubMed ID: 31484304 - Characterization of an intertidal zone metagenome oligoribonuclease and the role of the intermolecular disulfide bond for homodimer formation and nuclease activity.
Piotrowski, Y., Berg, K., Klebl, D.P., Leiros, I., Larsen, A.N.
FEBS Open Bio 9, pp. 1674 (2019)
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PubMed ID: 31420950 - A blue light receptor that mediates RNA binding and translational regulation.
Weber, A.M., Kaiser, J., Ziegler, T., Pilsl, S., Renzl, C., Sixt, L., Pietruschka, G., Moniot, S., Kakoti, A., Juraschitz, M., Schrottke, S., Lledo Bryant, L., Steegborn, C., Bittl, R., Mayer, G., Moglich, A.
Nat Chem Biol 15, pp. 1085 (2019)
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PubMed ID: 31451761 - The activity of Saccharomyces cerevisiae Na+, K+/H+antiporter Nha1 is negatively regulated by 14-3-3 protein binding at serine 481.
Smidova, A., Stankova, K., Petrvalska, O., Lazar, J., Sychrova, H., Obsil, T., Zimmermannova, O., Obsilova, V.
Biochim Biophys Acta Mol Cell Res 1866, pp. 118534 (2019)
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PubMed ID: 31446061 - Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity.
Grzechowiak, M., Ruszkowski, M., Sliwiak, J., Szpotkowski, K., Sikorski, M., Jaskolski, M.
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PubMed ID: 31371393 - Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Williamson, A., Leiros, H.S.
Nucleic Acids Res 47, pp. 7147 (2019)
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PubMed ID: 31312841 - Crystal structure of the N-terminal domain of the major virulence factor BB0323 from the Lyme disease agent Borrelia burgdorferi.
Brangulis, K., Akopjana, I., Kazaks, A., Tars, K.
Acta Crystallogr D Struct Biol 75, pp. 825 (2019)
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PubMed ID: 31478905 - Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access.
Grave, K., Lambert, W., Berggren, G., Griese, J.J., Bennett, M.D., Logan, D.T., Hogbom, M.
J Biol Inorg Chem 24, pp. 849 (2019)
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PubMed ID: 31410573 - Structures of kobuviral and siciniviral polymerases reveal conserved mechanism of picornaviral polymerase activation.
Dubankova, A., Horova, V., Klima, M., Boura, E.
J Struct Biol 208, pp. 92 (2019)
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PubMed ID: 31415898 - Ternary structure of the outer membrane transporter FoxA with resolved signalling domain provides insights into TonB-mediated siderophore uptake.
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Elife 8, pp. e48528 (2019)
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PubMed ID: 31385808 - Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites.
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PLoS Pathog 15, pp. e1007962 (2019)
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PubMed ID: 31381608 - X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Bhattarai, S., Pippel, J., Meyer, A., Freundlieb, M., Schmies, C., Abdelrahman, A., Fiene, A., Lee, S.Y., Zimmermann, H., El-Tayeb, A., Yegutkin, G.G., Strater, N., Muller, C.E.
Adv Ther 2, pp. 1900075 (2019)
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Acta Crystallogr D Struct Biol 75, pp. 743 (2019)
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PubMed ID: 31373573 - Crystallization and Crystallographic Analysis of a Bradyrhizobium Elkanii USDA94 Haloalkane Dehalogenase Variant with an Eliminated Halide-Binding Site
Prudnikova, T., Kuta Smatanova, I.
Crystals (Basel) 9, pp. 375 (2019)
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Nishimura, K., Dioguardi, E., Nishio, S., Villa, A., Han, L., Matsuda, T., Jovine, L.
Nat Commun 10, pp. 3086 (2019)
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PubMed ID: 31300655 - Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
Driller, R., Ballaschk, M., Schmieder, P., Uchanska-Ziegler, B., Ziegler, A., Loll, B.
J Biol Chem 294, pp. 13269 (2019)
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PubMed ID: 31296658 - Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
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Nature 571, pp. 429 (2019)
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PubMed ID: 31292547 - Structural basis for the function of SuhB as a transcription factor in ribosomal RNA synthesis.
Huang, Y.H., Said, N., Loll, B., Wahl, M.C.
Nucleic Acids Res 47, pp. 6488 (2019)
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PubMed ID: 31020314 - Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment.
Mucha, O., Podkalicka, P., Mikulski, M., Barwacz, S., Andrysiak, K., Biela, A., Mieczkowski, M., Kachamakova-Trojanowska, N., Ryszawy, D., Bialas, A., Szelazek, B., Grudnik, P., Majewska, E., Michalik, K., Jakubiec, K., Bien, M., Witkowska, N., Gluza, K., Ekonomiuk, D., Sitarz, K., Galezowski, M., Brzozka, K., Dubin, G., Jozkowicz, A., Dulak, J., Loboda, A.
Arch Biochem Biophys 671, pp. 130 (2019)
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PubMed ID: 31276659 - Molecular tuning of farnesoid X receptor partial agonism.
Merk, D., Sreeramulu, S., Kudlinzki, D., Saxena, K., Linhard, V., Gande, S.L., Hiller, F., Lamers, C., Nilsson, E., Aagaard, A., Wissler, L., Dekker, N., Bamberg, K., Schubert-Zsilavecz, M., Schwalbe, H.
Nat Commun 10, pp. 2915 (2019)
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PubMed ID: 31266946 - Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Gabdulkhakov, A., Kolyadenko, I., Kostareva, O., Mikhaylina, A., Oliveira, P., Tamagnini, P., Lisov, A., Tishchenko, S.
Int J Mol Sci 20, pp. 3184 (2019)
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PubMed ID: 31261802 - Increased versatility despite reduced molecular complexity: evolution, structure and function of metazoan splicing factor PRPF39.
De Bortoli, F., Neumann, A., Kotte, A., Timmermann, B., Schuler, T., Wahl, M.C., Loll, B., Heyd, F.
Nucleic Acids Res 47, pp. 5867 (2019)
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PubMed ID: 30949712 - Structural and biochemical analysis of a phosin from Streptomyces chartreusis reveals a combined polyphosphate- and metal-binding fold.
Werten, S., Rustmeier, N.H., Gemmer, M., Virolle, M.J., Hinrichs, W.
FEBS Lett 593, pp. 2019 (2019)
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PubMed ID: 31183865 - Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Kumpula, E.P., Lopez, A.J., Tajedin, L., Han, H., Kursula, I.
PLoS Biol 17, pp. e3000315 (2019)
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PubMed ID: 31199804 - Structure of the yellow fever NS5 protein reveals conserved drug targets shared among flaviviruses.
Dubankova, A., Boura, E.
Antiviral Res 169, pp. 104536 (2019)
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PubMed ID: 31202975 - Time-resolved DNA release from an O-antigen-specificSalmonellabacteriophage with a contractile tail.
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J Biol Chem 294, pp. 11751 (2019)
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PubMed ID: 31189652 - Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1.
Zahradnik, J., Kolarova, L., Peleg, Y., Kolenko, P., Svidenska, S., Charnavets, T., Unger, T., Sussman, J.L., Schneider, B.
FEBS J 286, pp. 3858 (2019)
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PubMed ID: 31152679 - Crystal structure of Borrelia burgdorferi outer surface protein BBA69 in comparison to the paralogous protein CspA.
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Ticks Tick Borne Dis 10, pp. 1135 (2019)
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PubMed ID: 31204045 - Features and structure of a cold active N-acetylneuraminate lyase.
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PLoS One 14, pp. e0217713 (2019)
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PubMed ID: 31185017 - Structural features of cold-adapted dimeric GH2 beta-D-galactosidase from Arthrobacter sp. 32cB.
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Biochim Biophys Acta Proteins Proteom 1867, pp. 776 (2019)
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PubMed ID: 31195142 - E3 ubiquitin-protein ligase TRIM21-mediated lysine capture by UBE2E1 reveals substrate-targeting mode of a ubiquitin-conjugating E2.
Anandapadamanaban, M., Kyriakidis, N.C., Csizmok, V., Wallenhammar, A., Espinosa, A.C., Ahlner, A., Round, A.R., Trewhella, J., Moche, M., Wahren-Herlenius, M., Sunnerhagen, M.
J Biol Chem 294, pp. 11404 (2019)
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PubMed ID: 31160341 - Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
Zahn, M., Kurteva-Yaneva, N., Schuster, J., Krug, U., Georgi, T., Muller, R.H., Rohwerder, T., Strater, N.
J Mol Biol 431, pp. 2747 (2019)
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PubMed ID: 31145912 - Kti12, a PSTK-like tRNA dependent ATPase essential for tRNA modification by Elongator.
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Nucleic Acids Res 47, pp. 4814 (2019)
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PubMed ID: 30916349 - Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C).
Rembacz, K.P., Zrubek, K.M., Golik, P., Michalik, K., Bogusz, J., Wladyka, B., Romanowska, M., Dubin, G.
Arch Biochem Biophys 671, pp. 1 (2019)
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PubMed ID: 31108049 - Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1.
Zima, V., Albinana, C.B., Rojikova, K., Pokorna, J., Pachl, P., Rezacova, P., Hudlicky, J., Navratil, V., Majer, P., Konvalinka, J., Kozisek, M., Machara, A.
Bioorg Med Chem 27, pp. 2935 (2019)
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PubMed ID: 31128993 - NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
Gardill, B.R., Schmidt, K., Muller, Y.A.
J Struct Biol 207, pp. 169 (2019)
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PubMed ID: 31103428 - Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Kanitz, M., Blanck, S., Heine, A., Gulyaeva, A.A., Gorbalenya, A.E., Ziebuhr, J., Diederich, W.E.
Virology 533, pp. 21 (2019)
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PubMed ID: 31078932 - Mutational and structural studies uncover crucial amino acids determining activity and stability of 17beta-HSD14
Badran, M., Bertoletti, N., Keils, A., Heine, A., Klebe, G., Marchais-Oberwinkler, S.
J Steroid Biochem Mol Biol 189, pp. 135 (2019)
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Process Biochem 80, pp. 89 (2019)
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Structure 27, pp. 977 (2019)
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PubMed ID: 31031201 - Specific interaction of zinc finger protein Com with RNA and the crystal structure of a self-complementary RNA duplex recognized by Com.
Nowacka, M., Fernandes, H., Kiliszek, A., Bernat, A., Lach, G., Bujnicki, J.M.
PLoS One 14, pp. e0214481 (2019)
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PubMed ID: 31022205 - Crystal structure of the cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5.
Tratsiak, K., Prudnikova, T., Drienovska, I., Damborsky, J., Brynda, J., Pachl, P., Kuty, M., Chaloupkova, R., Rezacova, P., Kuta Smatanova, I.
Acta Crystallogr F Struct Biol Commun 75, pp. 324 (2019)
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PubMed ID: 31045561 - Structural differences between the ectodomains of murine and human CD98hc.
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Proteins 87, pp. 693 (2019)
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PubMed ID: 30958588 - Disruption of endocytosis through chemical inhibition of clathrin heavy chain function.
Dejonghe, W., Sharma, I., Denoo, B., De Munck, S., Lu, Q., Mishev, K., Bulut, H., Mylle, E., De Rycke, R., Vasileva, M., Savatin, D.V., Nerinckx, W., Staes, A., Drozdzecki, A., Audenaert, D., Yperman, K., Madder, A., Friml, J., Van Damme, D., Gevaert, K., Haucke, V., Savvides, S.N., Winne, J., Russinova, E.
Nat Chem Biol 15, pp. 641 (2019)
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PubMed ID: 31011214 - 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models.
Jorda, R., Havlicek, L., Sturc, A., Tuskova, D., Daumova, L., Alam, M., Skerlova, J., Nekardova, M., Perina, M., Pospisil, T., Siroka, J., Urbanek, L., Pachl, P., Rezacova, P., Strnad, M., Klener, P., Krystof, V.
J Med Chem 62, pp. 4606 (2019)
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PubMed ID: 30943029 - Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Palm, G.J., Reisky, L., Bottcher, D., Muller, H., Michels, E.A.P., Walczak, M.C., Berndt, L., Weiss, M.S., Bornscheuer, U.T., Weber, G.
Nat Commun 10, pp. 1717 (2019)
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PubMed ID: 30979881 - The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
Christian, S., Merz, C., Evans, L., Gradl, S., Seidel, H., Friberg, A., Eheim, A., Lejeune, P., Brzezinka, K., Zimmermann, K., Ferrara, S., Meyer, H., Lesche, R., Stoeckigt, D., Bauser, M., Haegebarth, A., Sykes, D.B., Scadden, D.T., Losman, J.A., Janzer, A.
Leukemia 33, pp. 2403 (2019)
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PubMed ID: 30940908 - The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome.
Nikonov, O., Kravchenko, O., Nevskaya, N., Stolboushkina, E., Garber, M., Nikonov, S.
Acta Crystallogr D Struct Biol 75, pp. 392 (2019)
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PubMed ID: 30988256 - OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Frohlich, C., Sorum, V., Thomassen, A.M., Johnsen, P.J., Leiros, H.S., Samuelsen, O.
mSphere 4 (2019)
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PubMed ID: 30918055 - FIP200 Claw Domain Binding to p62 Promotes Autophagosome Formation at Ubiquitin Condensates.
Turco, E., Witt, M., Abert, C., Bock-Bierbaum, T., Su, M.Y., Trapannone, R., Sztacho, M., Danieli, A., Shi, X., Zaffagnini, G., Gamper, A., Schuschnig, M., Fracchiolla, D., Bernklau, D., Romanov, J., Hartl, M., Hurley, J.H., Daumke, O., Martens, S.
Mol Cell 74, pp. 330 (2019)
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PubMed ID: 30853400 - Structural Principles in Robo Activation and Auto-inhibition.
Barak, R., Yom-Tov, G., Guez-Haddad, J., Gasri-Plotnitsky, L., Maimon, R., Cohen-Berkman, M., McCarthy, A.A., Perlson, E., Henis-Korenblit, S., Isupov, M.N., Opatowsky, Y.
Cell 177, pp. 272 (2019)
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PubMed ID: 30853216 - Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin.
Hafstrand, I., Sayitoglu, E.C., Apavaloaei, A., Josey, B.J., Sun, R., Han, X., Pellegrino, S., Ozkazanc, D., Potens, R., Janssen, L., Nilvebrant, J., Nygren, P.A., Sandalova, T., Springer, S., Georgoudaki, A.M., Duru, A.D., Achour, A.
Proc Natl Acad Sci U S A 116, pp. 5055 (2019)
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PubMed ID: 30808808 - An engineered lipocalin that tightly complexes the plant poison colchicine for use as antidote and in bioanalytical applications.
Barkovskiy, M., Ilyukhina, E., Dauner, M., Eichinger, A., Skerra, A.
Biol Chem 400, pp. 351 (2019)
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PubMed ID: 30517073 - The structure of CgnJ, a domain of unknown function protein from the crocagin gene cluster.
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Acta Crystallogr F Struct Biol Commun 75, pp. 205 (2019)
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PubMed ID: 30839296 - Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
Watts, E., Heidenreich, D., Tucker, E., Raab, M., Strebhardt, K., Chesler, L., Knapp, S., Bellenie, B., Hoelder, S.
J Med Chem 62, pp. 2618 (2019)
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PubMed ID: 30789735 - A fluorinated indole-based MDM2 antagonist selectively inhibits the growth of p53wtosteosarcoma cells.
Skalniak, L., Twarda-Clapa, A., Neochoritis, C.G., Surmiak, E., Machula, M., Wisniewska, A., Labuzek, B., Ali, A.M., Krzanik, S., Dubin, G., Groves, M., Domling, A., Holak, T.A.
FEBS J 286, pp. 1360 (2019)
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PubMed ID: 30715803 - The structure and function of Iristatin, a novel immunosuppressive tick salivary cystatin.
Kotal, J., Stergiou, N., Busa, M., Chlastakova, A., Berankova, Z., Rezacova, P., Langhansova, H., Schwarz, A., Calvo, E., Kopecky, J., Mares, M., Schmitt, E., Chmelar, J., Kotsyfakis, M.
Cell Mol Life Sci 76, pp. 2003 (2019)
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PubMed ID: 30747251 - Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties.
Kiliszek, A., Rypniewski, W., Rzad, K., Milewski, S., Gabriel, I.
J Struct Biol 205, pp. 26 (2019)
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PubMed ID: 30742897 - The Elongator subunit Elp3 is a non-canonical tRNA acetyltransferase.
Lin, T.Y., Abbassi, N.E.H., Zakrzewski, K., Chramiec-Glabik, A., Jemiola-Rzeminska, M., Rozycki, J., Glatt, S.
Nat Commun 10, pp. 625 (2019)
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PubMed ID: 30733442 - Site-Resolved Observation of Vibrational Energy Transfer Using a Genetically Encoded Ultrafast Heater.
Baumann, T., Hauf, M., Schildhauer, F., Eberl, K.B., Durkin, P.M., Deniz, E., Loffler, J.G., Acevedo-Rocha, C.G., Jaric, J., Martins, B.M., Dobbek, H., Bredenbeck, J., Budisa, N.
Angew Chem Int Ed Engl 58, pp. 2899 (2019)
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PubMed ID: 30589180 - Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
Griese, J.J., Kositzki, R., Haumann, M., Hogbom, M.
J Biol Inorg Chem 24, pp. 211 (2019)
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PubMed ID: 30689052 - Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins.
Kasaragod, V.B., Hausrat, T.J., Schaefer, N., Kuhn, M., Christensen, N.R., Tessmer, I., Maric, H.M., Madsen, K.L., Sotriffer, C., Villmann, C., Kneussel, M., Schindelin, H.
Neuron 101, pp. 673 (2019)
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PubMed ID: 30704910 - New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Tazarki, H., Zeinyeh, W., Esvan, Y.J., Knapp, S., Chatterjee, D., Schroder, M., Joerger, A.C., Khiari, J., Josselin, B., Baratte, B., Bach, S., Ruchaud, S., Anizon, F., Giraud, F., Moreau, P.
Eur J Med Chem 166, pp. 304 (2019)
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PubMed ID: 30731399 - Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Hillig, R.C., Sautier, B., Schroeder, J., Moosmayer, D., Hilpmann, A., Stegmann, C.M., Werbeck, N.D., Briem, H., Boemer, U., Weiske, J., Badock, V., Mastouri, J., Petersen, K., Siemeister, G., Kahmann, J.D., Wegener, D., Bohnke, N., Eis, K., Graham, K., Wortmann, L., von Nussbaum, F., Bader, B.
Proc Natl Acad Sci U S A 116, pp. 2551 (2019)
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PubMed ID: 30683722 - Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
Bhujbalrao, R., Anand, R.
J Am Chem Soc 141, pp. 1425 (2019)
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PubMed ID: 30624914 - Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Mueller, J.M., Kirschner, R., Geyer, A., Klebe, G.
ACS Omega 4, pp. 775 (2019)
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Halsor, M.J.H., Rothweiler, U., Altermark, B., Raeder, I.L.U.
Acta Crystallogr D Struct Biol 75, pp. 90 (2019)
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PubMed ID: 30644848 - Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Ge, C., Xu, B., Liang, B., Lonnblom, E., Lundstrom, S.L., Zubarev, R.A., Ayoglu, B., Nilsson, P., Skogh, T., Kastbom, A., Malmstrom, V., Klareskog, L., Toes, R.E.M., Rispens, T., Dobritzsch, D., Holmdahl, R.
Arthritis Rheumatol 71, pp. 210 (2019)
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PubMed ID: 30152126 - Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Boutard, N., Bialas, A., Sabiniarz, A., Guzik, P., Banaszak, K., Biela, A., Bien, M., Buda, A., Bugaj, B., Cieluch, E., Cierpich, A., Dudek, L., Eggenweiler, H.M., Fogt, J., Gaik, M., Gondela, A., Jakubiec, K., Jurzak, M., Kitlinska, A., Kowalczyk, P., Kujawa, M., Kwiecinska, K., Les, M., Lindemann, R., Maciuszek, M., Mikulski, M., Niedziejko, P., Obara, A., Pawlik, H., Rzymski, T., Sieprawska-Lupa, M., Sowinska, M., Szeremeta-Spisak, J., Stachowicz, A., Tomczyk, M.M., Wiklik, K., Wloszczak, L., Ziemianska, S., Zarebski, A., Brzozka, K., Nowak, M., Fabritius, C.H.
Bioorg Med Chem Lett 29, pp. 646 (2019)
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PubMed ID: 30626557 - Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
Boutard, N., Bialas, A., Sabiniarz, A., Guzik, P., Banaszak, K., Biela, A., Bien, M., Buda, A., Bugaj, B., Cieluch, E., Cierpich, A., Dudek, L., Eggenweiler, H.M., Fogt, J., Gaik, M., Gondela, A., Jakubiec, K., Jurzak, M., Kitlinska, A., Kowalczyk, P., Kujawa, M., Kwiecinska, K., Les, M., Lindemann, R., Maciuszek, M., Mikulski, M., Niedziejko, P., Obara, A., Pawlik, H., Rzymski, T., Sieprawska-Lupa, M., Sowinska, M., Szeremeta-Spisak, J., Stachowicz, A., Tomczyk, M.M., Wiklik, K., Wloszczak, L., Ziemianska, S., Zarebski, A., Brzozka, K., Nowak, M., Fabritius, C.H.
ChemMedChem 14, pp. 169 (2019)
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PubMed ID: 30378281 - Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo.
Siemeister, G., Mengel, A., Fernandez-Montalvan, A.E., Bone, W., Schroder, J., Zitzmann-Kolbe, S., Briem, H., Prechtl, S., Holton, S.J., Monning, U., von Ahsen, O., Johanssen, S., Cleve, A., Putter, V., Hitchcock, M., von Nussbaum, F., Brands, M., Ziegelbauer, K., Mumberg, D.
Clin Cancer Res 25, pp. 1404 (2019)
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PubMed ID: 30429199 - Substrate-induced conformational change in cytochrome P450 OleP.
Parisi, G., Montemiglio, L.C., Giuffre, A., Macone, A., Scaglione, A., Cerutti, G., Exertier, C., Savino, C., Vallone, B.
FASEB J 33, pp. 1787 (2019)
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Gabdulkhakov, A.G., Kostareva, O.S., Kolyadenko, I.A., Mikhaylina, A.O., Trubitsina, L.I., Tishchenko, S.V.
Mol Biol (Mosk) 52, pp. 29 (2018)
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PubMed ID: 29512633 - Structural and functional studies of Spr1654: an essential aminotransferase in teichoic acid biosynthesis inStreptococcus pneumoniae.
Han, X., Sun, R., Sandalova, T., Achour, A.
Open Biol 8, pp. 170248 (2018)
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PubMed ID: 29669826 - Amine Transaminase from Exophiala xenobiotica - Crystal Structure and Engineering of a Fold IV Transaminase that Naturally Converts Biaryl Ketones
Telzerow, A., Paris, J., Hakansson, M., Gonzalez-Sabin, J., Rios-Lombardia, N., Schurrmann, M., Groger, H., Kourist, R., Schwab, H., Steiner, K.
ACS Catal 9, pp. 1140 (2018)
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Biochem J 475, pp. 3847 (2018)
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PubMed ID: 30404922 - Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
Knutsson, S., Engdahl, C., Kumari, R., Forsgren, N., Lindgren, C., Kindahl, T., Kitur, S., Wachira, L., Kamau, L., Ekstrom, F., Linusson, A.
J Med Chem 61, pp. 10545 (2018)
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PubMed ID: 30339371 - High-affinity heterotetramer formation between the large myelin-associated glycoprotein and the dynein light chain DYNLL1.
Myllykoski, M., Eichel, M.A., Jung, R.B., Kelm, S., Werner, H.B., Kursula, P.
J Neurochem 147, pp. 764 (2018)
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PubMed ID: 30261098 - Structural snapshot of a bacterial phytochrome in its functional intermediate state.
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Nat Commun 9, pp. 4912 (2018)
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PubMed ID: 30464203 - Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Gerlach, D., Guo, Y., De Castro, C., Kim, S.H., Schlatterer, K., Xu, F.F., Pereira, C., Seeberger, P.H., Ali, S., Codee, J., Sirisarn, W., Schulte, B., Wolz, C., Larsen, J., Molinaro, A., Lee, B.L., Xia, G., Stehle, T., Peschel, A.
Nature 563, pp. 705 (2018)
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PubMed ID: 30464342 - MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP.
Jemth, A.S., Gustafsson, R., Brautigam, L., Henriksson, L., Vallin, K.S.A., Sarno, A., Almlof, I., Homan, E., Rasti, A., Warpman Berglund, U., Stenmark, P., Helleday, T.
Nucleic Acids Res 46, pp. 10888 (2018)
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PubMed ID: 30304478 - Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development.
You, W., Steegborn, C.
J Med Chem 61, pp. 10922 (2018)
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PubMed ID: 30395713 - Conformation-specific detection of calmodulin binding using the unnatural amino acid p-azido-phenylalanine (AzF) as an IR-sensor.
Creon, A., Josts, I., Niebling, S., Huse, N., Tidow, H.
Struct Dyn 5, pp. 064701 (2018)
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PubMed ID: 30474048 - Structural and Functional Characterization of PA14/Flo5-Like Adhesins FromKomagataella pastoris.
Kock, M., Bruckner, S., Wozniak, N., Maestre-Reyna, M., Veelders, M., Schlereth, J., Mosch, H.U., Essen, L.O.
Front Microbiol 9, pp. 2581 (2018)
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PubMed ID: 30425696 - Crystal structure of native alpha-L-rhamnosidase from Aspergillus terreus.
Pachl, P., Skerlova, J., Simcikova, D., Kotik, M., Krenkova, A., Mader, P., Brynda, J., Kapesova, J., Kren, V., Otwinowski, Z., Rezacova, P.
Acta Crystallogr D Struct Biol 74, pp. 1078 (2018)
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PubMed ID: 30387766 - Crystal structure of carbonic anhydrase CaNce103p from the pathogenic yeast Candida albicans.
Dostal, J., Brynda, J., Blaha, J., Machacek, S., Heidingsfeld, O., Pichova, I.
BMC Struct Biol 18, pp. 14 (2018)
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PubMed ID: 30367660 - Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
Fleming, J.R., Schupfner, M., Busch, F., Basle, A., Ehrmann, A., Sterner, R., Mayans, O.
J Mol Biol 430, pp. 5066 (2018)
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PubMed ID: 30367843 - 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
Nakajima, R., Novakova, Z., Tueckmantel, W., Motlova, L., Barinka, C., Kozikowski, A.P.
ACS Med Chem Lett 9, pp. 1099 (2018)
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PubMed ID: 30429952 - Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis.
Stefanic, Z., Narczyk, M., Mikleusevic, G., Kazazic, S., Bzowska, A., Luic, M.
Sci Rep 8, pp. 15427 (2018)
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PubMed ID: 30337572 - Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain.
Dohler, C., Zebisch, M., Krinke, D., Robitzki, A., Strater, N.
Acta Crystallogr F Struct Biol Commun 74, pp. 696 (2018)
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PubMed ID: 30387774 - 14-3-3 protein masks the nuclear localization sequence of caspase-2.
Smidova, A., Alblova, M., Kalabova, D., Psenakova, K., Rosulek, M., Herman, P., Obsil, T., Obsilova, V.
FEBS J 285, pp. 4196 (2018)
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PubMed ID: 30281929 - Effects of 3-Bromo-4,5-dihydroisoxazole Derivatives on Nrf2 Activation and Heme Oxygenase-1 Expression.
Pinto, A., El Ali, Z., Moniot, S., Tamborini, L., Steegborn, C., Foresti, R., De Micheli, C.
ChemistryOpen 7, pp. 858 (2018)
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PubMed ID: 30397576 - Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Zhang, J., Grundstrom, C., Brannstrom, K., Iakovleva, I., Lindberg, M., Olofsson, A., Andersson, P.L., Sauer-Eriksson, A.E.
Environ Sci Technol 52, pp. 11865 (2018)
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PubMed ID: 30226982 - Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Dauner, M., Eichinger, A., Lucking, G., Scherer, S., Skerra, A.
Angew Chem Int Ed Engl 57, pp. 14619 (2018)
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PubMed ID: 30063283 - Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis.
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Nat Commun 9, pp. 3971 (2018)
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PubMed ID: 30266969 - Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination.
Gustafsson, N.M.S., Farnegardh, K., Bonagas, N., Ninou, A.H., Groth, P., Wiita, E., Jonsson, M., Hallberg, K., Lehto, J., Pennisi, R., Martinsson, J., Norstrom, C., Hollers, J., Schultz, J., Andersson, M., Markova, N., Marttila, P., Kim, B., Norin, M., Olin, T., Helleday, T.
Nat Commun 9, pp. 3872 (2018)
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PubMed ID: 30250201 - DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases.
Williamson, A., Grgic, M., Leiros, H.S.
Nucleic Acids Res 46, pp. 8616 (2018)
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PubMed ID: 30007325 - Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins.
Stehling, O., Jeoung, J.H., Freibert, S.A., Paul, V.D., Banfer, S., Niggemeyer, B., Rosser, R., Dobbek, H., Lill, R.
Proc Natl Acad Sci U S A 115, pp. E9085 (2018)
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PubMed ID: 30201724 - The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
Lund, B.A., Thomassen, A.M., Nesheim, B.H.B., Carlsen, T.J.O., Isaksson, J., Christopeit, T., Leiros, H.S.
FEBS J 285, pp. 4214 (2018)
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PubMed ID: 30153368 - Insights into the GTP-dependent allosteric control of c-di-GMP hydrolysis from the crystal structure of PA0575 protein from Pseudomonas aeruginosa.
Mantoni, F., Paiardini, A., Brunotti, P., D'Angelo, C., Cervoni, L., Paone, A., Cappellacci, L., Petrelli, R., Ricciutelli, M., Leoni, L., Rampioni, G., Arcovito, A., Rinaldo, S., Cutruzzola, F., Giardina, G.
FEBS J 285, pp. 3815 (2018)
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PubMed ID: 30106221 - Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii.
Franz, S., Ignatz, E., Wenzel, S., Zielosko, H., Putu, E.P.G.N., Maestre-Reyna, M., Tsai, M.D., Yamamoto, J., Mittag, M., Essen, L.O.
Nucleic Acids Res 46, pp. 8010 (2018)
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PubMed ID: 30032195 - Structural and functional characterization of a maltose/maltodextrin ABC transporter comprising a single solute binding domain (MalE) fused to the transmembrane subunit MalF.
Licht, A., Bommer, M., Werther, T., Neumann, K., Hobe, C., Schneider, E.
Res Microbiol 170, pp. 1 (2018)
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PubMed ID: 30193862 - Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Schiebel, J., Gaspari, R., Wulsdorf, T., Ngo, K., Sohn, C., Schrader, T.E., Cavalli, A., Ostermann, A., Heine, A., Klebe, G.
Nat Commun 9, pp. 3559 (2018)
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PubMed ID: 30177695 - PRISEs (progesterone 5 beta-reductase and/or iridoid synthase-like 1,4-enone reductases): Catalytic and substrate promiscuity allows for realization of multiple pathways in plant metabolism.
Schmidt, K., Petersen, J., Munkert, J., Egerer-Sieber, C., Hornig, M., Muller, Y.A., Kreis, W.
Phytochemistry 156, pp. 9 (2018)
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PubMed ID: 30172078 - Structural basis for prolidase deficiency disease mechanisms.
Wilk, P., Uehlein, M., Piwowarczyk, R., Dobbek, H., Mueller, U., Weiss, M.S.
FEBS J 285, pp. 3422 (2018)
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PubMed ID: 30066404 - Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
Kunstmann, S., Gohlke, U., Broeker, N.K., Roske, Y., Heinemann, U., Santer, M., Barbirz, S.
J Am Chem Soc 140, pp. 10447 (2018)
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PubMed ID: 30044908 - Molecular insights into antibiotic resistance - how a binding protein traps albicidin.
Rostock, L., Driller, R., Gratz, S., Kerwat, D., von Eckardstein, L., Petras, D., Kunert, M., Alings, C., Schmitt, F.J., Friedrich, T., Wahl, M.C., Loll, B., Mainz, A., Sussmuth, R.D.
Nat Commun 9, pp. 3095 (2018)
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PubMed ID: 30082794 - Crystal Structures of R-Type Bacteriocin Sheath and Tube Proteins CD1363 and CD1364 FromClostridium difficilein the Pre-assembled State.
Schwemmlein, N., Pippel, J., Gazdag, E.M., Blankenfeldt, W.
Front Microbiol 9, pp. 1750 (2018)
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PubMed ID: 30127773 - PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction.
Schmitt, A., Jiang, K., Camacho, M.I., Jonna, V.R., Hofer, A., Westerlund, F., Christie, P.J., Berntsson, R.P.
Mol Microbiol 109, pp. 291 (2018)
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PubMed ID: 29723434 - Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa.
Czyrko, J., Sliwiak, J., Imiolczyk, B., Gdaniec, Z., Jaskolski, M., Brzezinski, K.
Sci Rep 8, pp. 11334 (2018)
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PubMed ID: 30054521 - Crystal structure of the membrane attack complex assembly inhibitor BGA71 from the Lyme disease agent Borrelia bavariensis.
Brangulis, K., Akopjana, I., Petrovskis, I., Kazaks, A., Kraiczy, P., Tars, K.
Sci Rep 8, pp. 11286 (2018)
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PubMed ID: 30050126 - Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Pachl, P., Simak, O., Budesinsky, M., Brynda, J., Rosenberg, I., Rezacova, P.
European J Org Chem 2018, pp. 5144 (2018)
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Troster, A., Heinzlmeir, S., Berger, B.T., Gande, S.L., Saxena, K., Sreeramulu, S., Linhard, V., Nasiri, A.H., Bolte, M., Muller, S., Kuster, B., Medard, G., Kudlinzki, D., Schwalbe, H.
ChemMedChem 13, pp. 1629 (2018)
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PubMed ID: 29928781 - Pseudomonas aeruginosapyoverdine maturation enzyme PvdP has a noncanonical domain architecture and affords insight into a new subclass of tyrosinases.
Poppe, J., Reichelt, J., Blankenfeldt, W.
J Biol Chem 293, pp. 14926 (2018)
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PubMed ID: 30030378 - Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Dohler, C., Zebisch, M., Strater, N.
Sci Rep 8, pp. 10874 (2018)
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PubMed ID: 30022031 - Electrostatic Tuning of the Ligand Binding Mechanism by Glu27 in Nitrophorin 7.
Abbruzzetti, S., Allegri, A., Bidon-Chanal, A., Ogata, H., Soavi, G., Cerullo, G., Bruno, S., Montali, C., Luque, F.J., Viappiani, C.
Sci Rep 8, pp. 10855 (2018)
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PubMed ID: 30022039 - Crystal Structures of the Single PDZ Domains from GRASP65 and their Interaction with the Golgin GM130
Jurk, C.M., Roske, Y., Heinemann, U.
Croat Chem Acta 91 (2018)
DOI: 10.5562/cca3341 - The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
Fiorillo, A., Petrosino, M., Ilari, A., Pasquo, A., Cipollone, A., Maggi, M., Chiaraluce, R., Consalvi, V.
PLoS One 13, pp. e0199191 (2018)
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PubMed ID: 29995887 - Crystal structure of human Acinus RNA recognition motif domain.
Fernandes, H., Czapinska, H., Grudziaz, K., Bujnicki, J.M., Nowacka, M.
PeerJ 6, pp. e5163 (2018)
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PubMed ID: 30042883 - Crystal structure of the FAS1 domain of the hyaluronic acid receptor stabilin-2.
Twarda-Clapa, A., Labuzek, B., Krzemien, D., Musielak, B., Grudnik, P., Dubin, G., Holak, T.A.
Acta Crystallogr D Struct Biol 74, pp. 695 (2018)
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PubMed ID: 29968679 - Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase.
Movsisyan, L.D., Schafer, E., Nguyen, A., Ehrmann, F.R., Schwab, A., Rossolini, T., Zimmerli, D., Wagner, B., Daff, H., Heine, A., Klebe, G., Diederich, F.
Chemistry 24, pp. 9957 (2018)
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PubMed ID: 29939431 - Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus.
Pokorna, J., Pachl, P., Karlukova, E., Hejdanek, J., Rezacova, P., Machara, A., Hudlicky, J., Konvalinka, J., Kozisek, M.
Viruses 10, pp. 339 (2018)
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PubMed ID: 29933553 - Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Szabo, E., Mizsei, R., Wilk, P., Zambo, Z., Torocsik, B., Weiss, M.S., Adam-Vizi, V., Ambrus, A.
Free Radic Biol Med 124, pp. 214 (2018)
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PubMed ID: 29908278 - Homodimer Architecture of QTRT2, the Noncatalytic Subunit of the Eukaryotic tRNA-Guanine Transglycosylase.
Behrens, C., Biela, I., Petiot-Becard, S., Botzanowski, T., Cianferani, S., Sager, C.P., Klebe, G., Heine, A., Reuter, K.
Biochemistry 57, pp. 3953 (2018)
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PubMed ID: 29862811 - Crystal structure of S-adenosyl-L-homocysteine hydrolase from Cytophaga hutchinsonii, a case of combination of crystallographic and non-crystallographic symmetry.
Czyrko, J., Jaskolski, M., Brzezinski, K.
Croat Chem Acta 91 (2018)
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Schmitt, A., Hamann, F., Neumann, P., Ficner, R.
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PubMed ID: 29968674 - Molecular principles underlying dual RNA specificity in the Drosophila SNF protein.
Weber, G., DeKoster, G.T., Holton, N., Hall, K.B., Wahl, M.C.
Nat Commun 9, pp. 2220 (2018)
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PubMed ID: 29880797 - Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Kazokaite, J., Niemans, R., Dudutiene, V., Becker, H.M., Leitans, J., Zubriene, A., Baranauskiene, L., Gondi, G., Zeidler, R., Matuliene, J., Tars, K., Yaromina, A., Lambin, P., Dubois, L.J., Matulis, D.
Oncotarget 9, pp. 26800 (2018)
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PubMed ID: 29928486 - The functional principle of eukaryotic molybdenum insertases.
Krausze, J., Hercher, T.W., Zwerschke, D., Kirk, M.L., Blankenfeldt, W., Mendel, R.R., Kruse, T.
Biochem J 475, pp. 1739 (2018)
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PubMed ID: 29717023 - Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain.
Scheib, U., Broser, M., Constantin, O.M., Yang, S., Gao, S., Mukherjee, S., Stehfest, K., Nagel, G., Gee, C.E., Hegemann, P.
Nat Commun 9, pp. 2046 (2018)
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PubMed ID: 29799525 - Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Braun, F., Bertoletti, N., Moller, G., Adamski, J., Frotscher, M., Guragossian, N., Madeira Girio, P.A., Le Borgne, M., Ettouati, L., Falson, P., Muller, S., Vollmer, G., Heine, A., Klebe, G., Marchais-Oberwinkler, S.
Eur J Med Chem 155, pp. 61 (2018)
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PubMed ID: 29859505 - Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide.
Grudnik, P., Kaminski, M.M., Rembacz, K.P., Kuska, K., Madej, M., Potempa, J., Dawidowski, M., Dubin, G.
J Biol Chem 293, pp. 11088 (2018)
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PubMed ID: 29784881 - Structure and properties of AB21, a novel Agaricus bisporus protein with structural relation to bacterial pore-forming toxins.
Komarek, J., Ivanov Kavkova, E., Houser, J., Horackova, A., Zdanska, J., Demo, G., Wimmerova, M.
Proteins 86, pp. 897 (2018)
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PubMed ID: 29722060 - Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
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Nucleic Acids Res 46, pp. 4819 (2018)
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PubMed ID: 29684204 - Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
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Proc Natl Acad Sci U S A 115, pp. 5744 (2018)
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PubMed ID: 29760101 - The universally-conserved transcription factor RfaH is recruited to a hairpin structure of the non-template DNA strand.
Zuber, P.K., Artsimovitch, I., NandyMazumdar, M., Liu, Z., Nedialkov, Y., Schweimer, K., Rosch, P., Knauer, S.H.
Elife 7, pp. e36349 (2018)
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PubMed ID: 29741479 - Interferons type II and their receptors R1 and R2 in fish species: Evolution, structure, and function.
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Fish Shellfish Immunol 79, pp. 140 (2018)
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PubMed ID: 29742458 - 5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes.
Wojtczak, B.A., Sikorski, P.J., Fac-Dabrowska, K., Nowicka, A., Warminski, M., Kubacka, D., Nowak, E., Nowotny, M., Kowalska, J., Jemielity, J.
J Am Chem Soc 140, pp. 5987 (2018)
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PubMed ID: 29676910 - Structural Basis for the Specific Cotranslational Incorporation of p-Boronophenylalanine into Biosynthetic Proteins.
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Biochemistry 57, pp. 2597 (2018)
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PubMed ID: 29668275 - PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
Sliwiak, J., Sikorski, M., Jaskolski, M.
FEBS J 285, pp. 1907 (2018)
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PubMed ID: 29630775 - Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
Misson, L., Burn, R., Vit, A., Hildesheim, J., Beliaeva, M.A., Blankenfeldt, W., Seebeck, F.P.
ACS Chem Biol 13, pp. 1333 (2018)
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PubMed ID: 29658702 - Crystal Structure of Botulinum Neurotoxin A2 in Complex with the Human Protein Receptor SV2C Reveals Plasticity in Receptor Binding.
Gustafsson, R., Zhang, S., Masuyer, G., Dong, M., Stenmark, P.
Toxins (Basel) 10, pp. 153 (2018)
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PubMed ID: 29649119 - 14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2).
Psenakova, K., Petrvalska, O., Kylarova, S., Lentini Santo, D., Kalabova, D., Herman, P., Obsilova, V., Obsil, T.
Biochim Biophys Acta 1862, pp. 1612 (2018)
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PubMed ID: 29649512 - The crystal structure of XdpB, the bacterial old yellow enzyme, in an FMN-free form.
Zahradnik, J., Kolenko, P., Palyzova, A., Cerny, J., Kolarova, L., Kyslikova, E., Maresova, H., Grulich, M., Nunvar, J., Sulc, M., Kyslik, P., Schneider, B.
PLoS One 13, pp. e0195299 (2018)
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PubMed ID: 29630677 - Design, development and application of whole-cell based antibiotic-specific biosensor.
Rebets, Y., Schmelz, S., Gromyko, O., Tistechok, S., Petzke, L., Scrima, A., Luzhetskyy, A.
Metab Eng 47, pp. 263 (2018)
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PubMed ID: 29609044 - Selective Utilization of Benzimidazolyl-Norcobamides as Cofactors by the Tetrachloroethene Reductive Dehalogenase of Sulfurospirillum multivorans.
Keller, S., Kunze, C., Bommer, M., Paetz, C., Menezes, R.C., Svatos, A., Dobbek, H., Schubert, T.
J Bacteriol 200 (2018)
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PubMed ID: 29378885 - Redesign of LAOBP to bind novel l-amino acid ligands.
Banda-Vazquez, J., Shanmugaratnam, S., Rodriguez-Sotres, R., Torres-Larios, A., Hocker, B., Sosa-Peinado, A.
Protein Sci 27, pp. 957 (2018)
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PubMed ID: 29524280 - Crystal structure of pyrimidine-nucleoside phosphorylase from Bacillus subtilis in complex with imidazole and sulfate.
Balaev, V.V., Prokofev, I.I., Gabdoulkhakov, A.G., Betzel, C., Lashkov, A.A.
Acta Crystallogr F Struct Biol Commun 74, pp. 193 (2018)
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PubMed ID: 29633966 - S-Adenosyl-L-Homocysteine Hydrolase Inhibition by a Synthetic Nicotinamide Cofactor Biomimetic.
Kailing, L.L., Bertinetti, D., Paul, C.E., Manszewski, T., Jaskolski, M., Herberg, F.W., Pavlidis, I.V.
Front Microbiol 9, pp. 505 (2018)
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PubMed ID: 29619018 - A conserved structural element in the RNA helicase UPF1 regulates its catalytic activity in an isoform-specific manner.
Gowravaram, M., Bonneau, F., Kanaan, J., Maciej, V.D., Fiorini, F., Raj, S., Croquette, V., Le Hir, H., Chakrabarti, S.
Nucleic Acids Res 46, pp. 2648 (2018)
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PubMed ID: 29378013 - Potent and Selective Inhibitors of Human Sirtuin 5.
Kalbas, D., Liebscher, S., Nowak, T., Meleshin, M., Pannek, M., Popp, C., Alhalabi, Z., Bordusa, F., Sippl, W., Steegborn, C., Schutkowski, M.
J Med Chem 61, pp. 2460 (2018)
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PubMed ID: 29494161 - Structural changes of TasA in biofilm formation ofBacillus subtilis.
Diehl, A., Roske, Y., Ball, L., Chowdhury, A., Hiller, M., Moliere, N., Kramer, R., Stoppler, D., Worth, C.L., Schlegel, B., Leidert, M., Cremer, N., Erdmann, N., Lopez, D., Stephanowitz, H., Krause, E., van Rossum, B.J., Schmieder, P., Heinemann, U., Turgay, K., Akbey, U., Oschkinat, H.
Proc Natl Acad Sci U S A 115, pp. 3237 (2018)
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PubMed ID: 29531041 - Anticalins Reveal High Plasticity in the Mode of Complex Formation with a Common Tumor Antigen.
Schiefner, A., Gebauer, M., Richter, A., Skerra, A.
Structure 26, pp. 649 (2018)
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PubMed ID: 29526433 - ATP-dependent substrate reduction at an [Fe8S9] double-cubane cluster.
Jeoung, J.H., Dobbek, H.
Proc Natl Acad Sci U S A 115, pp. 2994 (2018)
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PubMed ID: 29507223 - The Immunogenicity of a Proline-Substituted Altered Peptide Ligand toward the Cancer-Associated TEIPP Neoepitope Trh4 Is Unrelated to Complex Stability.
Hafstrand, I., Doorduijn, E.M., Sun, R., Talyzina, A., Sluijter, M., Pellegrino, S., Sandalova, T., Duru, A.D., van Hall, T., Achour, A.
J Immunol 200, pp. 2860 (2018)
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PubMed ID: 29507106 - Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Ming, Q., Roske, Y., Schuetz, A., Walentin, K., Ibraimi, I., Schmidt-Ott, K.M., Heinemann, U.
Nucleic Acids Res 46, pp. 2082 (2018)
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PubMed ID: 29309642 - General rules of fragmentation evidencing lasso structures in CID and ETD.
Jeanne Dit Fouque, K., Lavanant, H., Zirah, S., Hegemann, J.D., Fage, C.D., Marahiel, M.A., Rebuffat, S., Afonso, C.
Analyst 143, pp. 1157 (2018)
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PubMed ID: 29404537 - Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Hnizda, A., Fabry, M., Moriyama, T., Pachl, P., Kugler, M., Brinsa, V., Ascher, D.B., Carroll, W.L., Novak, P., Zaliova, M., Trka, J., Rezacova, P., Yang, J.J., Veverka, V.
Leukemia 32, pp. 1393 (2018)
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PubMed ID: 29535428 - Synthesis of alpha-l-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL).
Jancarikova, G., Herczeg, M., Fujdiarova, E., Houser, J., Kover, K.E., Borbas, A., Wimmerova, M., Csavas, M.
Chemistry 24, pp. 4055 (2018)
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PubMed ID: 29341313 - Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Pecina, A., Brynda, J., Vrzal, L., Gnanasekaran, R., Horejsi, M., Eyrilmez, S.M., Rezac, J., Lepsik, M., Rezacova, P., Hobza, P., Majer, P., Veverka, V., Fanfrlik, J.
Chemphyschem 19, pp. 873 (2018)
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PubMed ID: 29316128 - Ketonization of Proline Residues in the Peptide Chains of Actinomycins by a 4-Oxoproline Synthase.
Semsary, S., Crnovcic, I., Driller, R., Vater, J., Loll, B., Keller, U.
Chembiochem 19, pp. 706 (2018)
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PubMed ID: 29327817 - Human NUDT22 Is a UDP-Glucose/Galactose Hydrolase Exhibiting a Unique Structural Fold.
Carter, M., Jemth, A.S., Carreras-Puigvert, J., Herr, P., Martinez Carranza, M., Vallin, K.S.A., Throup, A., Helleday, T., Stenmark, P.
Structure 26, pp. 295 (2018)
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PubMed ID: 29413322 - Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii in complex with 5-iodotubercidin reveals phosphoryl transfer mechanism.
Tokarz, P., Wisniewska, M., Kaminski, M.M., Dubin, G., Grudnik, P.
Protein Sci 27, pp. 790 (2018)
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PubMed ID: 29352744 - Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Hanova, I., Brynda, J., Houstecka, R., Alam, N., Sojka, D., Kopacek, P., Maresova, L., Vondrasek, J., Horn, M., Schueler-Furman, O., Mares, M.
Cell Chem Biol 25, pp. 318 (2018)
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PubMed ID: 29396291 - X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket.
Dahms, S.O., Hardes, K., Steinmetzer, T., Than, M.E.
Biochemistry 57, pp. 925 (2018)
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PubMed ID: 29314830 - Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Page, B.D.G., Valerie, N.C.K., Wright, R.H.G., Wallner, O., Isaksson, R., Carter, M., Rudd, S.G., Loseva, O., Jemth, A.S., Almlof, I., Font-Mateu, J., Llona-Minguez, S., Baranczewski, P., Jeppsson, F., Homan, E., Almqvist, H., Axelsson, H., Regmi, S., Gustavsson, A.L., Lundback, T., Scobie, M., Stromberg, K., Stenmark, P., Beato, M., Helleday, T.
Nat Commun 9, pp. 250 (2018)
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PubMed ID: 29343827 - Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Narwal, M., Jemth, A.S., Gustafsson, R., Almlof, I., Warpman Berglund, U., Helleday, T., Stenmark, P.
Biochemistry 57, pp. 593 (2018)
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PubMed ID: 29281266 - In Situ Random Microseeding and Streak Seeding Used for Growth of Crystals of Cold-Adapted Beta-D-Galactosidases: Crystal Structure of BetaDG from Arthrobacter sp. 32cB
Rutkiewicz-Krotewicz, M., Pietrzyk-Brzezinska, A.J., Wanarska, M., Cieslinski, H., Bujacz, A.
Crystals (Basel) 8, pp. 13 (2018)
DOI: 10.3390/cryst8010013 - A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
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Eur J Med Chem 145, pp. 634 (2018)
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PubMed ID: 29348071 - Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae sheds light onto its substrate specificity, high stability, and regulation by propeptide.
Skerlova, J., Blaha, J., Pachl, P., Hofbauerova, K., Kukacka, Z., Man, P., Pompach, P., Novak, P., Otwinowski, Z., Brynda, J., Vanek, O., Rezacova, P.
FEBS J 285, pp. 580 (2018)
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PubMed ID: 29239122 - Structural Basis for the Recruitment of Ctf18-RFC to the Replisome.
Grabarczyk, D.B., Silkenat, S., Kisker, C.
Structure 26, pp. 137 (2018)
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PubMed ID: 29225079 - A novel form of RNA double helix based on G·U and C·A+ wobble base pairing.
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RNA 24, pp. 209 (2018)
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PubMed ID: 29122970 - Nicotinamide Adenine Dinucleotides Arrest Photoreduction of Class II DNA Photolyases in FADH ̇ State.
Ignatz, E., Geisselbrecht, Y., Kiontke, S., Essen, L.O.
Photochem Photobiol 94, pp. 81 (2018)
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PubMed ID: 28858395 - Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus.
Orlikowska, M., de J Rostro-Alanis, M., Bujacz, A., Hernandez-Luna, C., Rubio, R., Parra, R., Bujacz, G.
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PubMed ID: 29055703 - Protein S-Bacillithiolation Functions in Thiol Protection and Redox Regulation of the Glyceraldehyde-3-Phosphate Dehydrogenase Gap in Staphylococcus aureus Under Hypochlorite Stress.
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Antioxid Redox Signal 28, pp. 410 (2018)
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Elife 6, pp. e32742 (2017)
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PubMed ID: 29256864 - Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL.
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PLoS One 12, pp. e0189375 (2017)
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PubMed ID: 29232414 - Structural insight into a CE15 esterase from the marine bacterial metagenome.
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Sci Rep 7, pp. 17278 (2017)
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PubMed ID: 29222424 - Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome.
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Proc Natl Acad Sci U S A 114, pp. 13453 (2017)
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PubMed ID: 29208709 - Rhodococcus erythropolis Oleate Hydratase: a New Member in the Oleate Hydratase Family Tree - Biochemical and Structural Studies.
Lorenzen, J., Driller, R., Waldow, A., Quora, F., Loll, B., Brueck, T.
ChemCatChem 10, pp. 407 (2017)
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Phys Chem Chem Phys 19, pp. 30316 (2017)
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PubMed ID: 28951896 - Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay.
Quosdorf, S., Schuetz, A., Kolodziej, H.
Molecules 22, pp. 1989 (2017)
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PubMed ID: 29149072 - Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Pannek, M., Simic, Z., Fuszard, M., Meleshin, M., Rotili, D., Mai, A., Schutkowski, M., Steegborn, C.
Nat Commun 8, pp. 1513 (2017)
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PubMed ID: 29138502 - Structural Basis for DNA Recognition of a Single-stranded DNA-binding Protein from Enterobacter Phage Enc34.
Cernooka, E., Rumnieks, J., Tars, K., Kazaks, A.
Sci Rep 7, pp. 15529 (2017)
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PubMed ID: 29138440 - Crystal structures of OrfX2 and P47 from a Botulinum neurotoxin OrfX-type gene cluster.
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FEBS Lett 591, pp. 3781 (2017)
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PubMed ID: 29067689 - CODH-IV: A High-Efficiency CO-Scavenging CO Dehydrogenase with Resistance to O2.
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PubMed ID: 29024326 - Coordination and redox state-dependent structural changes of the heme-based oxygen sensor AfGcHK associated with intraprotein signal transduction.
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J Biol Chem 292, pp. 20921 (2017)
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PubMed ID: 29087344 - Combined x-ray crystallography and computational modeling approach to investigate the Hsp90 C-terminal peptide binding to FKBP51.
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Sci Rep 7, pp. 14288 (2017)
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PubMed ID: 29079741 - General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
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PubMed ID: 29107700 - Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
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PubMed ID: 29095162 - Rational Design of an Anticalin-Type Sugar-Binding Protein Using a Genetically Encoded Boronate Side Chain.
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ACS Synth Biol 6, pp. 2241 (2017)
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PubMed ID: 28937743 - Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Bogusz, J., Zrubek, K., Rembacz, K.P., Grudnik, P., Golik, P., Romanowska, M., Wladyka, B., Dubin, G.
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PubMed ID: 29042609 - Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism.
Gonzalez, G.M., Durica-Mitic, S., Hardwick, S.W., Moncrieffe, M.C., Resch, M., Neumann, P., Ficner, R., Gorke, B., Luisi, B.F.
Nucleic Acids Res 45, pp. 10845 (2017)
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PubMed ID: 28977623 - Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
Rudling, A., Gustafsson, R., Almlof, I., Homan, E., Scobie, M., Warpman Berglund, U., Helleday, T., Stenmark, P., Carlsson, J.
J Med Chem 60, pp. 8160 (2017)
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PubMed ID: 28929756 - Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Lund, B.A., Thomassen, A.M., Carlsen, T.J.O., Leiros, H.K.S.
Acta Crystallogr F Struct Biol Commun 73, pp. 579 (2017)
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PubMed ID: 28994407 - Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint.
Magiera-Mularz, K., Skalniak, L., Zak, K.M., Musielak, B., Rudzinska-Szostak, E., Kocik, J., Grudnik, P., Sala, D., Zarganes-Tzitzikas, T., Shaabani, S., Domling, A., Dubin, G., Holak, T.A.
Angew Chem Int Ed Engl 56, pp. 13732 (2017)
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PubMed ID: 28881104 - The crystal structure of the regulatory domain of the human sodium-driven chloride/bicarbonate exchanger.
Alvadia, C.M., Sommer, T., Bjerregaard-Andersen, K., Damkier, H.H., Montrasio, M., Aalkjaer, C., Morth, J.P.
Sci Rep 7, pp. 12131 (2017)
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PubMed ID: 28935959 - Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Witzgall, F., Ewert, W., Blankenfeldt, W.
Chembiochem 18, pp. 2045 (2017)
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PubMed ID: 28834007 - Structural basis for the shielding function of the dynamic trypanosome variant surface glycoprotein coat.
Bartossek, T., Jones, N.G., Schafer, C., Cvitkovic, M., Glogger, M., Mott, H.R., Kuper, J., Brennich, M., Carrington, M., Smith, A.S., Fenz, S., Kisker, C., Engstler, M.
Nat Microbiol 2, pp. 1523 (2017)
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PubMed ID: 28894098 - mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Rydzik, A.M., Warminski, M., Sikorski, P.J., Baranowski, M.R., Walczak, S., Kowalska, J., Zuberek, J., Lukaszewicz, M., Nowak, E., W Claridge, T.D., Darzynkiewicz, E., Nowotny, M., Jemielity, J.
Nucleic Acids Res 45, pp. 8661 (2017)
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PubMed ID: 28666355 - Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
Otrusinova, O., Demo, G., Padrta, P., Jasenakova, Z., Pekarova, B., Gelova, Z., Szmitkowska, A., Kaderavek, P., Jansen, S., Zachrdla, M., Klumpler, T., Marek, J., Hritz, J., Janda, L., Iwai, H., Wimmerova, M., Hejatko, J., Zidek, L.
J Biol Chem 292, pp. 17525 (2017)
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PubMed ID: 28860196 - Unitary Properties of AMPA Receptors with Reduced Desensitization.
Zhang, W., Eibl, C., Weeks, A.M., Riva, I., Li, Y.J., Plested, A.J.R., Howe, J.R.
Biophys J 113, pp. 2218 (2017)
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PubMed ID: 28863863 - Capturing LTA4hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4synthesis.
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Proc Natl Acad Sci U S A 114, pp. 9689 (2017)
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PubMed ID: 28827365 - Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity.
Jancarikova, G., Houser, J., Dobes, P., Demo, G., Hyrsl, P., Wimmerova, M.
PLoS Pathog 13, pp. e1006564 (2017)
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PubMed ID: 28806750 - Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
Jarmula, A., Wilk, P., Maj, P., Ludwiczak, J., Dowiercial, A., Banaszak, K., Rypniewski, W., Ciesla, J., Dabrowska, M., Fraczyk, T., Bronowska, A.K., Jakowiecki, J., Filipek, S., Rode, W.
J Mol Graph Model 77, pp. 33 (2017)
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PubMed ID: 28826032 - Substrate specificity and reaction mechanism of human prolidase.
Wilk, P., Uehlein, M., Kalms, J., Dobbek, H., Mueller, U., Weiss, M.S.
FEBS J 284, pp. 2870 (2017)
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PubMed ID: 28677335 - Structure of the adenylation domain Thr1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces sp. OH-5093-protein flexibility and molecular bases of substrate specificity.
Scaglione, A., Fullone, M.R., Montemiglio, L.C., Parisi, G., Zamparelli, C., Vallone, B., Savino, C., Grgurina, I.
FEBS J 284, pp. 2981 (2017)
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PubMed ID: 28704585 - Photoactivatable Mussel-Based Underwater Adhesive Proteins by an Expanded Genetic Code.
Hauf, M., Richter, F., Schneider, T., Faidt, T., Martins, B.M., Baumann, T., Durkin, P., Dobbek, H., Jacobs, K., Moglich, A., Budisa, N.
Chembiochem 18, pp. 1819 (2017)
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PubMed ID: 28650092 - Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding.
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Antimicrob Agents Chemother 61 (2017)
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PubMed ID: 28559248 - Mechanisms and Specificity of Phenazine Biosynthesis Protein PhzF.
Diederich, C., Leypold, M., Culka, M., Weber, H., Breinbauer, R., Ullmann, G.M., Blankenfeldt, W.
Sci Rep 7, pp. 6272 (2017)
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PubMed ID: 28740244 - How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin.
Krimmer, S.G., Cramer, J., Schiebel, J., Heine, A., Klebe, G.
J Am Chem Soc 139, pp. 10419 (2017)
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PubMed ID: 28696673 - Tight Molecular Recognition of Benzo[a]pyrene by a High-Affinity Antibody.
Eichinger, A., Neumaier, I., Pschenitza, M., Niessner, R., Knopp, D., Skerra, A.
Angew Chem Int Ed Engl 56, pp. 10592 (2017)
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PubMed ID: 28603847 - Crystal structure of a low molecular weight activator Blm-pep with yeast 20S proteasome - insights into the enzyme activation mechanism.
Witkowska, J., Gizynska, M., Grudnik, P., Golik, P., Karpowicz, P., Giedon, A., Dubin, G., Jankowska, E.
Sci Rep 7, pp. 6177 (2017)
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PubMed ID: 28733623 - Structural insights into the light-driven auto-assembly process of the water-oxidizing Mn4CaO5-cluster in photosystem II.
Zhang, M., Bommer, M., Chatterjee, R., Hussein, R., Yano, J., Dau, H., Kern, J., Dobbek, H., Zouni, A.
Elife 6, pp. e26933 (2017)
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PubMed ID: 28718766 - Structure of the WD40-domain of human ATG16L1.
Bajagic, M., Archna, A., Busing, P., Scrima, A.
Protein Sci 26, pp. 1828 (2017)
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PubMed ID: 28685931 - Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Werther, T., Wahlefeld, S., Salewski, J., Kuhlmann, U., Zebger, I., Hildebrandt, P., Dobbek, H.
Nat Commun 8, pp. 16084 (2017)
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JCI Insight 2 (2017)
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PubMed ID: 28679953 - Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Kunze, C., Bommer, M., Hagen, W.R., Uksa, M., Dobbek, H., Schubert, T., Diekert, G.
Nat Commun 8, pp. 15858 (2017)
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PubMed ID: 28671181 - Crystal structure of the tricellulin C-terminal coiled-coil domain reveals a unique mode of dimerization.
Schuetz, A., Radusheva, V., Krug, S.M., Heinemann, U.
Ann N Y Acad Sci 1405, pp. 147 (2017)
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PubMed ID: 28661558 - Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
Guzik, K., Zak, K.M., Grudnik, P., Magiera, K., Musielak, B., Torner, R., Skalniak, L., Domling, A., Dubin, G., Holak, T.A.
J Med Chem 60, pp. 5857 (2017)
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PubMed ID: 28613862 - Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
Cramer, J., Krimmer, S.G., Heine, A., Klebe, G.
J Med Chem 60, pp. 5791 (2017)
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PubMed ID: 28590130 - Structural and functional analyses of pyroglutamate-amyloid-beta-specific antibodies as a basis for Alzheimer immunotherapy.
Piechotta, A., Parthier, C., Kleinschmidt, M., Gnoth, K., Pillot, T., Lues, I., Demuth, H.U., Schilling, S., Rahfeld, J.U., Stubbs, M.T.
J Biol Chem 292, pp. 12713 (2017)
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PubMed ID: 28623233 - Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
Heinzlmeir, S., Lohse, J., Treiber, T., Kudlinzki, D., Linhard, V., Gande, S.L., Sreeramulu, S., Saxena, K., Liu, X., Wilhelm, M., Schwalbe, H., Kuster, B., Medard, G.
ChemMedChem 12, pp. 999 (2017)
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PubMed ID: 28544567 - Structural Basis for Aryl Hydrocarbon Receptor-Mediated Gene Activation.
Schulte, K.W., Green, E., Wilz, A., Platten, M., Daumke, O.
Structure 25, pp. 1025 (2017)
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PubMed ID: 28602820 - Reducing Macro- and Microheterogeneity of N-Glycans Enables the Crystal Structure of the Lectin and EGF-Like Domains of Human L-Selectin To Be Solved at 1.9 angstrom Resolution.
Wedepohl, S., Dernedde, J., Vahedi-Faridi, A., Tauber, R., Saenger, W., Bulut, H.
Chembiochem 18, pp. 1338 (2017)
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PubMed ID: 28489325 - Stabilization of RNA hairpins using non-nucleotide linkers and circularization.
Kiliszek, A., Blaszczyk, L., Kierzek, R., Rypniewski, W.
Nucleic Acids Res 45, pp. e92 (2017)
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PubMed ID: 28334744 - Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme.
Misra, M., Kuhn, M., Lobel, M., An, H., Statsyuk, A.V., Sotriffer, C., Schindelin, H.
Structure 25, pp. 1120 (2017)
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PubMed ID: 28578874 - Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Jin, Y., Molt, R.W., Pellegrini, E., Cliff, M.J., Bowler, M.W., Richards, N.G.J., Blackburn, G.M., Waltho, J.P.
Angew Chem Int Ed Engl 56, pp. 9732 (2017)
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PubMed ID: 28498638 - Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Newie, J., Neumann, P., Werner, M., Mata, R.A., Ficner, R., Feussner, I.
Sci Rep 7, pp. 2069 (2017)
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PubMed ID: 28522865 - 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers.
Twarda-Clapa, A., Krzanik, S., Kubica, K., Guzik, K., Labuzek, B., Neochoritis, C.G., Khoury, K., Kowalska, K., Czub, M., Dubin, G., Domling, A., Skalniak, L., Holak, T.A.
J Med Chem 60, pp. 4234 (2017)
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PubMed ID: 28482147 - AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Bock, T., Luxenburger, E., Hoffmann, J., Schutza, V., Feiler, C., Muller, R., Blankenfeldt, W.
Angew Chem Int Ed Engl 56, pp. 9986 (2017)
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PubMed ID: 28508504 - Structural Characterization of Human Coronavirus NL63 N Protein.
Szelazek, B., Kabala, W., Kus, K., Zdzalik, M., Twarda-Clapa, A., Golik, P., Burmistrz, M., Florek, D., Wladyka, B., Pyrc, K., Dubin, G.
J Virol 91 (2017)
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PubMed ID: 28331093 - Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9.
Haag, S., Schindler, M., Berndt, L., Brennicke, A., Takenaka, M., Weber, G.
Nucleic Acids Res 45, pp. 4915 (2017)
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PubMed ID: 28201607 - Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
Bouche, L., Christ, C.D., Siegel, S., Fernandez-Montalvan, A.E., Holton, S.J., Fedorov, O., Ter Laak, A., Sugawara, T., Stockigt, D., Tallant, C., Bennett, J., Monteiro, O., Diaz-Saez, L., Siejka, P., Meier, J., Putter, V., Weiske, J., Muller, S., Huber, K.V.M., Hartung, I.V., Haendler, B.
J Med Chem 60, pp. 4002 (2017)
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PubMed ID: 28402630 - Structural basis for lambda N-dependent processive transcription antitermination.
Said, N., Krupp, F., Anedchenko, E., Santos, K.F., Dybkov, O., Huang, Y.H., Lee, C.T., Loll, B., Behrmann, E., Burger, J., Mielke, T., Loerke, J., Urlaub, H., Spahn, C.M.T., Weber, G., Wahl, M.C.
Nat Microbiol 2, pp. 17062 (2017)
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PubMed ID: 28452979 - Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX.
Brogi, S., Fiorillo, A., Chemi, G., Butini, S., Lalle, M., Ilari, A., Gemma, S., Campiani, G.
Eur J Med Chem 135, pp. 479 (2017)
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PubMed ID: 28477573 - Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Homburg, C., Bommer, M., Wuttge, S., Hobe, C., Beck, S., Dobbek, H., Deutscher, J., Licht, A., Schneider, E.
Mol Microbiol 105, pp. 25 (2017)
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PubMed ID: 28370477 - Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor.
Dahms, S.O., Jiao, G.S., Than, M.E.
ACS Chem Biol 12, pp. 1211 (2017)
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PubMed ID: 28402100 - Crystallographic and SAXS studies of S-adenosyl-l-homocysteine hydrolase from Bradyrhizobium elkanii.
Manszewski, T., Szpotkowski, K., Jaskolski, M.
IUCrJ 4, pp. 271 (2017)
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PubMed ID: 28512574 - Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
Rechlin, C., Scheer, F., Terwesten, F., Wulsdorf, T., Pol, E., Fridh, V., Toth, P., Diederich, W.E., Heine, A., Klebe, G.
ACS Chem Biol 12, pp. 1397 (2017)
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PubMed ID: 28287700 - Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography.
Boura, E., Baumlova, A., Chalupska, D., Dubankova, A., Klima, M.
Protein Sci 26, pp. 1116 (2017)
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PubMed ID: 28342173 - Chlamydia trachomatis-containing vacuole serves as deubiquitination platform to stabilize Mcl-1 and to interfere with host defense
Fischer, A., Harrison, K.S., Ramirez, Y., Auer, D., Chowdhury, S.R., Prusty, B.K., Sauer, F., Dimond, Z., Kisker, C., Scott Hefty, P., Rudel, T.
Elife 6, pp. e21465 (2017)
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PubMed ID: 28347402 - Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Neckles, C., Eltschkner, S., Cummings, J.E., Hirschbeck, M., Daryaee, F., Bommineni, G.R., Zhang, Z., Spagnuolo, L., Yu, W., Davoodi, S., Slayden, R.A., Kisker, C., Tonge, P.J.
Biochemistry 56, pp. 1865 (2017)
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PubMed ID: 28225601 - Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
Heilingloh, C.S., Klingl, S., Egerer-Sieber, C., Schmid, B., Weiler, S., Muhl-Zurbes, P., Hofmann, J., Stump, J.D., Sticht, H., Kummer, M., Steinkasserer, A., Muller, Y.A.
J Mol Biol 429, pp. 1227 (2017)
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PubMed ID: 28315353 - Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity.
Moniot, S., Forgione, M., Lucidi, A., Hailu, G.S., Nebbioso, A., Carafa, V., Baratta, F., Altucci, L., Giacche, N., Passeri, D., Pellicciari, R., Mai, A., Steegborn, C., Rotili, D.
J Med Chem 60, pp. 2344 (2017)
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PubMed ID: 28240897 - Structural insights into the architecture of the Shigella flexneri virulence factor IcsA/VirG and motifs involved in polar distribution and secretion.
Leupold, S., Busing, P., Mas, P.J., Hart, D.J., Scrima, A.
J Struct Biol 198, pp. 19 (2017)
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PubMed ID: 28268178 - Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins.
Consentius, P., Loll, B., Gohlke, U., Alings, C., Muller, C., Muller, R., Teutloff, C., Heinemann, U., Kaupp, M., Wahl, M.C., Risse, T.
J Phys Chem Lett 8, pp. 1113 (2017)
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PubMed ID: 28221042 - The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Mihelic, M., Vlahovicek-Kahlina, K., Renko, M., Mesnage, S., Dobersek, A., Taler-Vercic, A., Jakas, A., Turk, D.
IUCrJ 4, pp. 185 (2017)
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Saccoliti, F., Angiulli, G., Pupo, G., Pescatori, L., Madia, V.N., Messore, A., Colotti, G., Fiorillo, A., Scipione, L., Gramiccia, M., Di Muccio, T., Di Santo, R., Costi, R., Ilari, A.
J Enzyme Inhib Med Chem 32, pp. 304 (2017)
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PubMed ID: 28098499 - Structural insights into the activation mechanism of dynamin-like EHD ATPases.
Melo, A.A., Hegde, B.G., Shah, C., Larsson, E., Isas, J.M., Kunz, S., Lundmark, R., Langen, R., Daumke, O.
Proc Natl Acad Sci U S A 114, pp. 5629 (2017)
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PubMed ID: 28228524 - Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
Spagnuolo, L.A., Eltschkner, S., Yu, W., Daryaee, F., Davoodi, S., Knudson, S.E., Allen, E.K., Merino, J., Pschibul, A., Moree, B., Thivalapill, N., Truglio, J.J., Salafsky, J., Slayden, R.A., Kisker, C., Tonge, P.J.
J Am Chem Soc 139, pp. 3417 (2017)
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PubMed ID: 28151657 - Similarities in the structure of the transcriptional repressor AmtR in two different space groups suggest a model for the interaction with GlnK.
Sevvana, M., Hasselt, K., Grau, F.C., Burkovski, A., Muller, Y.A.
Acta Crystallogr F Struct Biol Commun 73, pp. 146 (2017)
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PubMed ID: 28291750 - Mechanism of partial agonism in AMPA-type glutamate receptors.
Salazar, H., Eibl, C., Chebli, M., Plested, A.
Nat Commun 8, pp. 14327 (2017)
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PubMed ID: 28211453 - Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
Sundriyal, S., Moniot, S., Mahmud, Z., Yao, S., Di Fruscia, P., Reynolds, C.R., Dexter, D.T., Sternberg, M.J., Lam, E.W., Steegborn, C., Fuchter, M.J.
J Med Chem 60, pp. 1928 (2017)
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PubMed ID: 28135086 - The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6.
Usenik, A., Renko, M., Mihelic, M., Lindic, N., Borisek, J., Perdih, A., Pretnar, G., Muller, U., Turk, D.
Structure 25, pp. 514 (2017)
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PubMed ID: 28132783 - A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Cramer, J., Schiebel, J., Wulsdorf, T., Grohe, K., Najbauer, E.E., Ehrmann, F.R., Radeva, N., Zitzer, N., Linne, U., Linser, R., Heine, A., Klebe, G.
Angew Chem Int Ed Engl 56, pp. 1908 (2017)
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PubMed ID: 28097765 - Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis.
Sviridova, E., Rezacova, P., Bondar, A., Veverka, V., Novak, P., Schenk, G., Svergun, D.I., Kuta Smatanova, I., Bumba, L.
Sci Rep 7, pp. 40408 (2017)
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PubMed ID: 28084396 - Amylose recognition and ring-size determination of amylomaltase.
Roth, C., Weizenmann, N., Bexten, N., Saenger, W., Zimmermann, W., Maier, T., Strater, N.
Sci Adv 3, pp. e1601386 (2017)
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PubMed ID: 28097217 - An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
Arencibia, J.M., Frohner, W., Krupa, M., Pastor-Flores, D., Merker, P., Oellerich, T., Neimanis, S., Schmithals, C., Koberle, V., Su, E., Zeuzem, S., Stark, H., Piiper, A., Odadzic, D., Schulze, J.O., Biondi, R.M.
ACS Chem Biol 12, pp. 564 (2017)
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PubMed ID: 28045490 - Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Niefind, K., Bischoff, N., Golub, A.G., Bdzhola, V.G., Balanda, A.O., Prykhod'ko, A.O., Yarmoluk, S.M.
Pharmaceuticals (Basel) 10, pp. 9 (2017)
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PubMed ID: 28085026 - PELDOR Spectroscopy Reveals Two Defined States of a Sialic Acid TRAP Transporter SBP in Solution.
Glaenzer, J., Peter, M.F., Thomas, G.H., Hagelueken, G.
Biophys J 112, pp. 109 (2017)
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PubMed ID: 28076802 - Kobuviral Non-structural 3A Proteins Act as Molecular Harnesses to Hijack the Host ACBD3 Protein.
Klima, M., Chalupska, D., Rozycki, B., Humpolickova, J., Rezabkova, L., Silhan, J., Baumlova, A., Dubankova, A., Boura, E.
Structure 25, pp. 219 (2017)
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PubMed ID: 28065508 - Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
Rabbani, S., Krammer, E.M., Roos, G., Zalewski, A., Preston, R., Eid, S., Zihlmann, P., Prevost, M., Lensink, M.F., Thompson, A., Ernst, B., Bouckaert, J.
IUCrJ 4, pp. 7 (2017)
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PubMed ID: 28250938 - Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
Hamark, C., Berntsson, R.P., Masuyer, G., Henriksson, L.M., Gustafsson, R., Stenmark, P., Widmalm, G.
J Am Chem Soc 139, pp. 218 (2017)
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PubMed ID: 27958736 - Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
Thorsell, A.G., Ekblad, T., Karlberg, T., Low, M., Pinto, A.F., Tresaugues, L., Moche, M., Cohen, M.S., Schuler, H.
J Med Chem 60, pp. 1262 (2017)
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PubMed ID: 28001384 - Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
You, W., Rotili, D., Li, T.M., Kambach, C., Meleshin, M., Schutkowski, M., Chua, K.F., Mai, A., Steegborn, C.
Angew Chem Int Ed Engl 56, pp. 1007 (2017)
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PubMed ID: 27990725 - Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin.
Cramer, J., Krimmer, S.G., Fridh, V., Wulsdorf, T., Karlsson, R., Heine, A., Klebe, G.
ACS Chem Biol 12, pp. 225 (2017)
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PubMed ID: 27959500 - Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
Hanske, J., Schulze, J., Aretz, J., McBride, R., Loll, B., Schmidt, H., Knirel, Y., Rabsch, W., Wahl, M.C., Paulson, J.C., Rademacher, C.
J Biol Chem 292, pp. 862 (2017)
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PubMed ID: 27903635 - Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2.
Absmeier, E., Becke, C., Wollenhaupt, J., Santos, K.F., Wahl, M.C.
Cell Cycle 16, pp. 100 (2017)
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PubMed ID: 27880071 - OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Jung, L.A., Gebhardt, A., Koelmel, W., Ade, C.P., Walz, S., Kuper, J., von Eyss, B., Letschert, S., Redel, C., d'Artista, L., Biankin, A., Zender, L., Sauer, M., Wolf, E., Evan, G., Kisker, C., Eilers, M.
Oncogene 36, pp. 1911 (2017)
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PubMed ID: 27748763 - Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii.
Nikulin, A., Mikhailina, A., Lekontseva, N., Balobanov, V., Nikonova, E., Tishchenko, S.
J Biomol Struct Dyn 35, pp. 1615 (2017)
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PubMed ID: 27187760
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Schulte, T., Liu, L., Panas, M.D., Thaa, B., Dickson, N., Gotte, B., Achour, A., McInerney, G.M.
Open Biol 6, pp. 160078 (2016)
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PubMed ID: 27383630 - Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
Koval, T., stergaard, L.H., Lehmbeck, J., Nrgaard, A., Lipovova, P., Duskova, J., Skalova, T., Trundova, M., Kolenko, P., Fejfarova, K., Stransky, J., Svecova, L., Hasek, J., Dohnalek, J.
PLoS One 11, pp. e0168832 (2016)
DOI: 10.1371/journal.pone.0168832
PubMed ID: 28036383 - Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
Hall, M., Grundstrom, C., Begum, A., Lindberg, M.J., Sauer, U.H., Almqvist, F., Johansson, J., Sauer-Eriksson, A.E.
Proc Natl Acad Sci U S A 113, pp. 14733 (2016)
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PubMed ID: 27930316 - Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
Krimmer, S.G., Cramer, J., Betz, M., Fridh, V., Karlsson, R., Heine, A., Klebe, G.
J Med Chem 59, pp. 10530 (2016)
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PubMed ID: 27933956 - X-ray structures of uridine phosphorylase from Vibrio cholerae in complexes with uridine, thymidine, uracil, thymine, and phosphate anion: Substrate specificity of bacterial uridine phosphorylases
Prokofev, I.I., Lashkov, A.A., Gabdoulkhakov, A.G., Balaev, V.V., Seregina, T.A., Mironov, A.S., Betzel, C., Mikhailov, A.M.
Crystallogr Rep 61, pp. 954 (2016)
DOI: 10.1134/s1063774516060134 - Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis.
Gerstner, C., Dubnovitsky, A., Sandin, C., Kozhukh, G., Uchtenhagen, H., James, E.A., Ronnelid, J., Ytterberg, A.J., Pieper, J., Reed, E., Tandre, C., Rieck, M., Zubarev, R.A., Ronnblom, L., Sandalova, T., Buckner, J.H., Achour, A., Malmstrom, V.
Front Immunol 7, pp. 494 (2016)
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PubMed ID: 27895642 - MHC class II complexes sample intermediate states along the peptide exchange pathway.
Wieczorek, M., Sticht, J., Stolzenberg, S., Gunther, S., Wehmeyer, C., El Habre, Z., Alvaro-Benito, M., Noe, F., Freund, C.
Nat Commun 7, pp. 13224 (2016)
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PubMed ID: 27827392 - Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
Heinzlmeir, S., Kudlinzki, D., Sreeramulu, S., Klaeger, S., Gande, S.L., Linhard, V., Wilhelm, M., Qiao, H., Helm, D., Ruprecht, B., Saxena, K., Medard, G., Schwalbe, H., Kuster, B.
ACS Chem Biol 11, pp. 3400 (2016)
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PubMed ID: 27768280 - Ultrahigh-resolution centrosymmetric crystal structure of Z-DNA reveals the massive presence of alternate conformations.
Drozdzal, P., Gilski, M., Jaskolski, M.
Acta Crystallogr D Struct Biol 72, pp. 1203 (2016)
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PubMed ID: 27841753 - Crystal structures of a yeast 14-3-3 protein from Lachancea thermotolerans in the unliganded form and bound to a human lipid kinase PI4KB-derived peptide reveal high evolutionary conservation.
Eisenreichova, A., Klima, M., Boura, E.
Acta Crystallogr F Struct Biol Commun 72, pp. 799 (2016)
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PubMed ID: 27827352 - The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor.
Christopeit, T., Yang, K.W., Yang, S.K., Leiros, H.K.
Acta Crystallogr F Struct Biol Commun 72, pp. 813 (2016)
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PubMed ID: 27834790 - Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules
Rothweiler, U., Stensen, W., Brandsdal, B.O., Isaksson, J., Leeson, F.A., Eugh, R.A., Mjoen Svendsen, J.S.
J Med Chem 59, pp. 9814 (2016)
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PubMed ID: 27736065 - Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Arumughan, A., Roske, Y., Barth, C., Forero, L.L., Bravo-Rodriguez, K., Redel, A., Kostova, S., McShane, E., Opitz, R., Faelber, K., Rau, K., Mielke, T., Daumke, O., Selbach, M., Sanchez-Garcia, E., Rocks, O., Panakova, D., Heinemann, U., Wanker, E.E.
Nat Commun 7, pp. 13047 (2016)
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PubMed ID: 27762274 - Scaffolding in the Spliceosome via Single alpha Helices.
Ulrich, A.K.C., Seeger, M., Schutze, T., Bartlick, N., Wahl, M.C.
Structure 24, pp. 1972 (2016)
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PubMed ID: 27773687 - Oligomeric interface modulation causes misregulation of purine 5 -nucleotidase in relapsed leukemia.
Hnizda, A., Skerlova, J., Fabry, M., Pachl, P., Sinalova, M., Vrzal, L., Man, P., Novak, P., Rezacova, P., Veverka, V.
BMC Biol 14, pp. 91 (2016)
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PubMed ID: 27756303 - Engineering a de novo transport tunnel.
Brezovsky, J., Babkova, P., Degtjarik, O., Fortova, A., Gora, A., Iermak, I., Rezacova, P., Dvorak, P., Kuta Smatanova, I., Prokop, Z., Chaloupkova, R., Damborsky, J.
ACS Catal 6, pp. 7597 (2016)
DOI: 10.1021/acscatal.6b02081 - A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure.
Kumar, A., Sykorova, P., Demo, G., Dobes, P., Hyrsl, P., Wimmerova, M.
J Biol Chem 291, pp. 25032 (2016)
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PubMed ID: 27758853 - Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Schulze, J.O., Saladino, G., Busschots, K., Neimanis, S., Su, E., Odadzic, D., Zeuzem, S., Hindie, V., Herbrand, A.K., Lisa, M.N., Alzari, P.M., Gervasio, F.L., Biondi, R.M.
Cell Chem Biol 23, pp. 1193 (2016)
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PubMed ID: 27693059 - Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling.
Consentius, P., Gohlke, U., Loll, B., Alings, C., Muller, R., Heinemann, U., Kaupp, M., Wahl, M., Risse, T.
J Am Chem Soc 138, pp. 12868 (2016)
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PubMed ID: 27673570 - The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers.
Dahms, S.O., Creemers, J.W., Schaub, Y., Bourenkov, G.P., Zogg, T., Brandstetter, H., Than, M.E.
Sci Rep 6, pp. 34303 (2016)
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PubMed ID: 27670069 - Trans-Binding Mechanism of Ubiquitin-like Protein Activation Revealed by a UBA5-UFM1 Complex.
Oweis, W., Padala, P., Hassouna, F., Cohen-Kfir, E., Gibbs, D.R., Todd, E.A., Berndsen, C.E., Wiener, R.
Cell Rep 16, pp. 3113 (2016)
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PubMed ID: 27653677 - Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Dahms, S.O., Arciniega, M., Steinmetzer, T., Huber, R., Than, M.E.
Proc Natl Acad Sci U S A 113, pp. 11196 (2016)
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PubMed ID: 27647913 - Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Ramos-Espiritu, L., Kleinboelting, S., Navarrete, F.A., Alvau, A., Visconti, P.E., Valsecchi, F., Starkov, A., Manfredi, G., Buck, H., Adura, C., Zippin, J.H., van den Heuvel, J., Glickman, J.F., Steegborn, C., Levin, L.R., Buck, J.
Nat Chem Biol 12, pp. 838 (2016)
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PubMed ID: 27547922 - Crystal structure of human interferon-gamma receptor 2 reveals the structural basis for receptor specificity.
Mikulecky, P., Zahradnik, J., Kolenko, P., Cerny, J., Charnavets, T., Kolarova, L., Necasova, I., Pham, P.N., Schneider, B.
Acta Crystallogr D Struct Biol 72, pp. 1017 (2016)
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PubMed ID: 27599734 - Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Bommer, M., Bondar, A.N., Zouni, A., Dobbek, H., Dau, H.
Biochemistry 55, pp. 4626 (2016)
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PubMed ID: 27454911 - Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
Fiebig, D., Schmelz, S., Zindel, S., Ehret, V., Beck, J., Ebenig, A., Ehret, M., Froels, S., Pfeifer, F., Kolmar, H., Fuchsbauer, H.L., Scrima, A.
J Biol Chem 291, pp. 20417 (2016)
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PubMed ID: 27493205 - Crystal structure of AibC, a reductase involved in alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Bock, T., Muller, R., Blankenfeldt, W.
Acta Crystallogr F Struct Biol Commun 72, pp. 652 (2016)
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PubMed ID: 27487931 - Biosynthesis of Violacein, Structure and Function of l-Tryptophan Oxidase VioA from Chromobacterium violaceum.
Fuller, J.J., Ropke, R., Krausze, J., Rennhack, K.E., Daniel, N.P., Blankenfeldt, W., Schulz, S., Jahn, D., Moser, J.
J Biol Chem 291, pp. 20068 (2016)
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PubMed ID: 27466367 - High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Schiebel, J., Krimmer, S.G., Rower, K., Knorlein, A., Wang, X., Park, A.Y., Stieler, M., Ehrmann, F.R., Fu, K., Radeva, N., Krug, M., Huschmann, F.U., Glockner, S., Weiss, M.S., Mueller, U., Klebe, G., Heine, A.
Structure 24, pp. 1398 (2016)
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PubMed ID: 27452405 - Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Ivan, T., Enkvist, E., Viira, B., Manoharan, G.B., Raidaru, G., Pflug, A., Alam, K.A., Zaccolo, M., Engh, R.A., Uri, A.
Bioconjug Chem 27, pp. 1900 (2016)
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PubMed ID: 27389935 - The Structure of LiuC, a 3-Hydroxy-3-Methylglutaconyl CoA Dehydratase Involved in Isovaleryl-CoA Biosynthesis in Myxococcus xanthus, Reveals Insights into Specificity and Catalysis.
Bock, T., Reichelt, J., Muller, R., Blankenfeldt, W.
Chembiochem 17, pp. 1658 (2016)
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PubMed ID: 27271456 - Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
Brunner, K., Maric, S., Reshma, R.S., Almqvist, H., Seashore-Ludlow, B., Gustavsson, A.L., Poyraz, O., Yogeeswari, P., Lundback, T., Vallin, M., Sriram, D., Schnell, R., Schneider, G.
J Med Chem 59, pp. 6848 (2016)
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PubMed ID: 27379713 - Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.
Mondal, M., Radeva, N., Fanlo-Virgos, H., Otto, S., Klebe, G., Hirsch, A.K.
Angew Chem Int Ed Engl 55, pp. 9422 (2016)
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PubMed ID: 27400756 - New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
Bertoletti, N., Braun, F., Lepage, M., Moller, G., Adamski, J., Heine, A., Klebe, G., Marchais-Oberwinkler, S.
J Med Chem 59, pp. 6961 (2016)
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PubMed ID: 27362750 - Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Fillenberg, S.B., Friess, M.D., Korner, S., Bockmann, R.A., Muller, Y.A.
PLoS One 11, pp. e0157691 (2016)
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PubMed ID: 27337024 - Studies on the X-Ray and Solution Structure of FeoB from Escherichia coli BL21.
Hagelueken, G., Hoffmann, J., Schubert, E., Duthie, F.G., Florin, N., Konrad, L., Imhof, D., Behrmann, E., Morgner, N., Schiemann, O.
Biophys J 110, pp. 2642 (2016)
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PubMed ID: 27332122 - Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines.
Hinkes, S., Wuttke, A., Saupe, S.M., Ivanova, T., Wagner, S., Knorlein, A., Heine, A., Klebe, G., Steinmetzer, T.
J Med Chem 59, pp. 6370 (2016)
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PubMed ID: 27280436 - Structure-Activity Relationship of (18)F-Labeled Phosphoramidate Peptidomimetic Prostate-Specific Membrane Antigen (PSMA)-Targeted Inhibitor Analogues for PET Imaging of Prostate Cancer.
Dannoon, S., Ganguly, T., Cahaya, H., Geruntho, J.J., Galliher, M.S., Beyer, S.K., Choy, C.J., Hopkins, M.R., Regan, M., Blecha, J.E., Skultetyova, L., Drake, C.R., Jivan, S., Barinka, C., Jones, E.F., Berkman, C.E., VanBrocklin, H.F.
J Med Chem 59, pp. 5684 (2016)
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PubMed ID: 27228467 - Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities.
Navratil, M., Tykvart, J., Schimer, J., Pachl, P., Navratil, V., Rokob, T.A., Hlouchova, K., Rulisek, L., Konvalinka, J.
FEBS J 283, pp. 2528 (2016)
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PubMed ID: 27208881 - Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Sekula, B., Ciesielska, A., Rytczak, P., Koziokiewicz, M., Bujacz, A.
Biosci Rep 36 (2016)
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PubMed ID: 27129297 - Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
Degtjarik, O., Brynda, J., Ettrichova, O., Kuty, M., Sinha, D., Kuta Smatanova, I., Carey, J., Ettrich, R., Reha, D.
J Phys Chem B 120, pp. 4867 (2016)
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PubMed ID: 27183467 - Structural and mutational analysis of the interaction between the Middle-East respiratory syndrome coronavirus (MERS-CoV) papain-like protease and human ubiquitin.
Lei, J., Hilgenfeld, R.
Virol Sin 31, pp. 288 (2016)
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PubMed ID: 27245450 - Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus.
Bock, T., Kasten, J., Muller, R., Blankenfeldt, W.
Chembiochem 17, pp. 1257 (2016)
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PubMed ID: 27124816 - Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Zak, K.M., Grudnik, P., Guzik, K., Zieba, B.J., Musielak, B., Domling, A., Dubin, G., Holak, T.A.
Oncotarget 7, pp. 30323 (2016)
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PubMed ID: 27083005 - A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior.
Kromann-Hansen, T., Oldenburg, E., Yung, K.W., Ghassabeh, G.H., Muyldermans, S., Declerck, P.J., Huang, M., Andreasen, P.A., Ngo, J.C.
J Biol Chem 291, pp. 15156 (2016)
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PubMed ID: 27226628 - Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
Lund, B.A., Christopeit, T., Guttormsen, Y., Bayer, A., Leiros, H.K.
J Med Chem 59, pp. 5542 (2016)
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PubMed ID: 27165692 - Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Neckles, C., Pschibul, A., Lai, C., Hirschbeck, M., Kuper, J., Davoodi, S., Zou, J., Liu, N., Pan, P., Shah, S., Daryaee, F., Bommineni, G.R., Lai, C., Simmerling, C., Kisker, C., Tonge, P.J.
Biochemistry 55, pp. 2992 (2016)
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PubMed ID: 27136302 - Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
Eggert, E., Hillig, R.C., Kohr, S., Stockigt, D., Weiske, J., Barak, N., Mowat, J., Brumby, T., Christ, C.D., Ter Laak, A., Lang, T., Fernandez-Montalvan, A.E., Badock, V., Weinmann, H., Hartung, I.V., Barsyte-Lovejoy, D., Szewczyk, M., Kennedy, S., Li, F., Vedadi, M., Brown, P.J., Santhakumar, V., Arrowsmith, C.H., Stellfeld, T., Stresemann, C.
J Med Chem 59, pp. 4578 (2016)
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PubMed ID: 27075367 - Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Zender, M., Witzgall, F., Drees, S.L., Weidel, E., Maurer, C.K., Fetzner, S., Blankenfeldt, W., Empting, M., Hartmann, R.W.
ACS Chem Biol 11, pp. 1755 (2016)
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PubMed ID: 27082157 - Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
Novakova, Z., Wozniak, K., Jancarik, A., Rais, R., Wu, Y., Pavlicek, J., Ferraris, D., Havlinova, B., Ptacek, J., Vavra, J., Hin, N., Rojas, C., Majer, P., Slusher, B.S., Tsukamoto, T., Barinka, C.
J Med Chem 59, pp. 4539 (2016)
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PubMed ID: 27074627 - Elucidation of the heme active site electronic structure affecting the unprecedented nitrite dismutase activity of the ferrihemebproteins, the nitrophorins.
He, C., Ogata, H., Lubitz, W.
Chem Sci 7, pp. 5332 (2016)
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PubMed ID: 30155185 - Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.
Kang, Y., Gohlke, U., Engstrom, O., Hamark, C., Scheidt, T., Kunstmann, S., Heinemann, U., Widmalm, G., Santer, M., Barbirz, S.
J Am Chem Soc 138, pp. 9109 (2016)
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PubMed ID: 27045683 - Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Huschmann, F.U., Linnik, J., Sparta, K., Uhlein, M., Wang, X., Metz, A., Schiebel, J., Heine, A., Klebe, G., Weiss, M.S., Mueller, U.
Acta Crystallogr F Struct Biol Commun 72, pp. 346 (2016)
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PubMed ID: 27139825 - Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis.
Kouznetsova, E., Kanno, T., Karlberg, T., Thorsell, A.G., Wisniewska, M., Kursula, P., Sjogren, C., Schuler, H.
Structure 24, pp. 789 (2016)
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PubMed ID: 27112597 - AKAP18:PKA-RII alpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA.
Gotz, F., Roske, Y., Schulz, M.S., Autenrieth, K., Bertinetti, D., Faelber, K., Zuhlke, K., Kreuchwig, A., Kennedy, E.J., Krause, G., Daumke, O., Herberg, F.W., Heinemann, U., Klussmann, E.
Biochem J 473, pp. 1881 (2016)
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PubMed ID: 27102985 - Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor
Werten, S., Schneider, J., Palm, G.J., Hinrichs, W.
FEBS J 283, pp. 2102 (2016)
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PubMed ID: 27028290 - Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Ayaz, P., Andres, D., Kwiatkowski, D.A., Kolbe, C.C., Lienau, P., Siemeister, G., Lucking, U., Stegmann, C.M.
ACS Chem Biol 11, pp. 1710 (2016)
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PubMed ID: 27090615 - Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts.
Bumba, L., Masin, J., Macek, P., Wald, T., Motlova, L., Bibova, I., Klimova, N., Bednarova, L., Veverka, V., Kachala, M., Svergun, D.I., Barinka, C., Sebo, P.
Mol Cell 62, pp. 47 (2016)
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PubMed ID: 27058787 - Crystal structure and ligand affinity of avidin in the complex with 4-hydroxyazobenzene-2-carboxylic acid
Strzelczyk, P., Bujacz, G.
J Mol Struct 1109, pp. 232 (2016)
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Abdullin, D., Hagelueken, G., Schiemann, O.
Phys Chem Chem Phys 18, pp. 10428 (2016)
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PubMed ID: 27029516 - Caught in the act: the crystal structure of cleaved cathepsin L bound to the active site of Cathepsin L.
Sosnowski, P., Turk, D.
FEBS Lett 590, pp. 1253 (2016)
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PubMed ID: 26992470 - T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure.
Barciszewski, J., Wisniewski, J., Kolodziejczyk, R., Jaskolski, M., Rakus, D., Dzugaj, A.
Acta Crystallogr D Struct Biol 72, pp. 536 (2016)
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PubMed ID: 27050133 - High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide.
Rauth, S., Hinz, D., Borger, M., Uhrig, M., Mayhaus, M., Riemenschneider, M., Skerra, A.
Biochem J 473, pp. 1563 (2016)
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PubMed ID: 27029347 - Biochemical Characterization and Structural Analysis of a New Cold-Active and Salt-Tolerant Esterase from the Marine Bacterium Thalassospira Sp.
De Santi, C., Leiros, H.S., Di Scala, A., De Pascale, D., Altermark, B., Willassen, N.
Extremophiles 20, pp. 323 (2016)
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PubMed ID: 27016194 - Structural basis for cellulose binding by the type A carbohydrate-binding module 64 of Spirochaeta thermophila.
Schiefner, A., Angelov, A., Liebl, W., Skerra, A.
Proteins 84, pp. 855 (2016)
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PubMed ID: 26868291 - Bithionol Potently Inhibits Human Soluble Adenylyl Cyclase through Binding to the Allosteric Activator Site.
Kleinboelting, S., Ramos-Espiritu, L., Buck, H., Colis, L., van den Heuvel, J., Glickman, J.F., Levin, L.R., Buck, J., Steegborn, C.
J Biol Chem 291, pp. 9776 (2016)
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PubMed ID: 26961873 - Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Mills, S.J., Silvander, C., Cozier, G., Tresaugues, L., Nordlund, P., Potter, B.V.L.
Biochemistry 55, pp. 1384 (2016)
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PubMed ID: 26854536 - Crystal Structure of Alcohol Oxidase from Pichia pastoris.
Koch, C., Neumann, P., Valerius, O., Feussner, I., Ficner, R.
PLoS One 11, pp. e0149846 (2016)
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PubMed ID: 26905908 - Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Balaev, V.V., Lashkov, A.A., Gabdulkhakov, A.G., Dontsova, M.V., Seregina, T.A., Mironov, A.S., Betzel, C., Mikhailov, A.M.
Acta Crystallogr F Struct Biol Commun 72, pp. 224 (2016)
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PubMed ID: 26919527 - Crystallographic studies of the complex of human HINT1 protein with a non-hydrolyzable analog of Ap4A.
Dolot, R., Kaczmarek, R., Seda, A., Krakowiak, A., Baraniak, J., Nawrot, B.
Int J Biol Macromol 87, pp. 62 (2016)
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PubMed ID: 26905466 - The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Hegemann, J.D., Fage, C.D., Zhu, S., Harms, K., Di Leva, F.S., Novellino, E., Marinelli, L., Marahiel, M.A.
Mol Biosyst 12, pp. 1106 (2016)
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PubMed ID: 26863937 - Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition.
Brautigam, L., Pudelko, L., Jemth, A.S., Gad, H., Narwal, M., Gustafsson, R., Karsten, S., Carreras Puigvert, J., Homan, E., Berndt, C., Berglund, U.W., Stenmark, P., Helleday, T.
Cancer Res 76, pp. 2366 (2016)
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PubMed ID: 26862114 - Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-on O2 -Ni Complex.
Jeoung, J., Nianios, D., Fetzner, S., Dobbek, H.
Angew Chem Int Ed Engl 55, pp. 3281 (2016)
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PubMed ID: 26846734 - The Structure and Catalytic Mechanism of Human Sphingomyelin Phosphodiesterase Like 3A - an Acid Sphingomyelinase Homolog with a Novel Nucleotide Hydrolase Activity.
Lim, S.M., Yeung, K., Tresaugues, L., Ling, T.H., Nordlund, P.
FEBS J 283, pp. 1107 (2016)
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PubMed ID: 26783088 - Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor.
Ferreira de Freitas, R., Eram, M.S., Szewczyk, M.M., Steuber, H., Smil, D., Wu, H., Li, F., Senisterra, G., Dong, A., Brown, P.J., Hitchcock, M., Moosmayer, D., Stegmann, C.M., Egner, U., Arrowsmith, C., Barsyte-Lovejoy, D., Vedadi, M., Schapira, M.
J Med Chem 59, pp. 1176 (2016)
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PubMed ID: 26824386 - When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase.
Ciaccafava, A., Tombolelli, D., Domnik, L., Fesseler, J., Jeoung, J.H., Dobbek, H., Mroginski, M.A., Zebger, I., Hildebrandt, P.
Chem Sci 7, pp. 3162 (2016)
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PubMed ID: 29997808 - The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
Hafstrand, I., Doorduijn, E.M., Duru, A.D., Buratto, J., Oliveira, C.C., Sandalova, T., van Hall, T., Achour, A.
J Immunol 196, pp. 2327 (2016)
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PubMed ID: 26800871 - Atomic resolution structure of a chimeric DNA-RNA Z-type duplex in complex with Ba(2+) ions: a case of complicated multi-domain twinning.
Gilski, M., Drozdzal, P., Kierzek, R., Jaskolski, M.
Acta Crystallogr D Struct Biol 72, pp. 211 (2016)
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PubMed ID: 26894669 - Structural and functional analysis of the RNA helicase Prp43 from the thermophilic eukaryote Chaetomium thermophilum.
Tauchert, M.J., Fourmann, J.B., Christian, H., Luhrmann, R., Ficner, R.
Acta Crystallogr F Struct Biol Commun 72, pp. 112 (2016)
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PubMed ID: 26841761 - Peptides in headlock - a novel high-affinity and versatile peptide-binding nanobody for proteomics and microscopy.
Braun, M.B., Traenkle, B., Koch, P.A., Emele, F., Weiss, F., Poetz, O., Stehle, T., Rothbauer, U.
Sci Rep 6, pp. 19211 (2016)
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PubMed ID: 26791954 - Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Weie, R.H., Faust, A., Schmidt, M., Schonheit, P., Scheidig, A.J.
Proc Natl Acad Sci U S A 113, pp. E519 (2016)
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PubMed ID: 26787904 - Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Krossa, S., Faust, A., Ober, D., Scheidig, A.J.
Sci Rep 6, pp. 19501 (2016)
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PubMed ID: 26776105 - Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Ruhmann, E.H., Rupp, M., Betz, M., Heine, A., Klebe, G.
ChemMedChem 11, pp. 309 (2016)
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PubMed ID: 26762840 - Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
Gaspari, R., Rechlin, C., Heine, A., Bottegoni, G., Rocchia, W., Schwarz, D., Bomke, J., Gerber, H.D., Klebe, G., Cavalli, A.
J Med Chem 59, pp. 4245 (2016)
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PubMed ID: 26700575 - Myristoylation drives dimerization of matrix protein from mouse mammary tumor virus.
Dolezal, M., Zabransky, A., Dostal, J., Vanek, O., Brynda, J., Lepsik, M., Hadravova, R., Pichova, I.
Retrovirology 13, pp. 2 (2016)
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PubMed ID: 26728401 - Structure of methionine gamma-lyase from Clostridium sporogenes.
Revtovich, S., Anufrieva, N., Morozova, E., Kulikova, V., Nikulin, A., Demidkina, T.
Acta Crystallogr F Struct Biol Commun 72, pp. 65 (2016)
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PubMed ID: 26750487 - Crystal structure of cleaved vaspin (serpinA12).
Pippel, J., Kuettner, E.B., Ulbricht, D., Daberger, J., Schultz, S., Heiker, J.T., Strater, N.
Biol Chem 397, pp. 111 (2016)
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PubMed ID: 26529565 - Structure of an Actinobacterial-Type [Nife]-Hydrogenase Reveals Insight Into O2-Tolerant H2 Oxidation.
Schafer, C., Bommer, M., Hennig, S.E., Jeoung, J., Dobbek, H., Lenz, O.
Structure 24, pp. 285 (2016)
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PubMed ID: 26749450 - The first crystal structures of RNA-PNA duplexes and a PNA-PNA duplex containing mismatches-toward anti-sense therapy against TREDs.
Kiliszek, A., Banaszak, K., Dauter, Z., Rypniewski, W.
Nucleic Acids Res 44, pp. 1937 (2016)
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PubMed ID: 26717983 - A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Tolzer, C., Pal, S., Watzlawick, H., Altenbuchner, J., Niefind, K.
FEBS Lett 590, pp. 174 (2016)
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PubMed ID: 26787467 - Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin.
Sekula, B., Bujacz, A.
J Med Chem 59, pp. 82 (2016)
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PubMed ID: 26652101 - Structural Basis of ATP Hydrolysis and Intersubunit Signaling in the AAA+ ATPase p97.
Hanzelmann, P., Schindelin, H.
Structure 24, pp. 127 (2016)
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PubMed ID: 26712278 - Salmonella Enterica Serovar Typhimurium Growth is Inhibited by the Concomitant Binding of Zn(II) and a Pyrrolyl-Hydroxamate to Znua, the Soluble Component of the Znuabc Transporter.
Ilari, A., Pescatori, L., Di Santo, R., Battistoni, A., Ammendola, S., Falconi, M., Berlutti, F., Valenti, P., Chiancone, E.
Biochim Biophys Acta 1860, pp. 534 (2016)
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PubMed ID: 26691136 - Structure of a Native-Like Aureochrome 1A Lov Domain Dimer from Phaeodactylum Tricornutum.
Banerjee, A., Herman, E., Kottke, T., Essen, L.O.
Structure 24, pp. 171 (2016)
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PubMed ID: 26688213 - Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein.
Sliwiak, J., Dolot, R., Michalska, K., Szpotkowski, K., Bujacz, G., Sikorski, M., Jaskolski, M.
J Struct Biol 193, pp. 55 (2016)
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PubMed ID: 26644353 - Structural Analysis and Knock-Out of a Burkholderia Pseudomallei Homolog of the Eukaryotic Transcription Coactivator Pc4.
Werten, S., Kohler, C., Bayer, N., Steinmetz, I., Hinrichs, W.
Gene 557, pp. 140 (2016)
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PubMed ID: 26625975 - Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Lauber, B.S., Hardegger, L.A., Asraful, A.K., Lund, B.A., Dumele, O., Harder, M., Kuhn, B., Engh, R.A., Diederich, F.
Chemistry 22, pp. 211 (2016)
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PubMed ID: 26578105 - Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Novakova, Z., Cerny, J., Choy, C.J., Nedrow, J.R., Choi, J.K., Lubkowski, J., Berkman, C.E., Barinka, C.
FEBS J 283, pp. 130 (2016)
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PubMed ID: 26460595 - Watson-Crick-like pairs in CCUG repeats: evidence for tautomeric shifts or protonation.
Rypniewski, W., Banaszak, K., Kulinski, T., Kiliszek, A.
RNA 22, pp. 22 (2016)
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PubMed ID: 26543073
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Dostal, J., Pecina, A., Hruskova-Heidingsfeldova, O., Mareckova, L., Pichova, I., Rezacova, P., Lepsik, M., Brynda, J.
Acta Crystallogr D Biol Crystallogr 71, pp. 2494 (2015)
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PubMed ID: 26627656 - An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii.
Manszewski, T., Singh, K., Imiolczyk, B., Jaskolski, M.
Acta Crystallogr D Biol Crystallogr 71, pp. 2422 (2015)
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PubMed ID: 26627650 - Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
Cau, Y., Fiorillo, A., Mori, M., Ilari, A., Botta, M., Lalle, M.
J Chem Inf Model 55, pp. 2611 (2015)
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PubMed ID: 26551337 - Tuning and Switching Enantioselectivity of Asymmetric Carboligation in an Enzyme through Mutational Analysis of a Single Hot Spot.
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Chembiochem 16, pp. 2580 (2015)
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PubMed ID: 26488818 - Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
Lange, A., Gunther, M., Buttner, F.M., Zimmermann, M.O., Heidrich, J., Hennig, S., Zahn, S., Schall, C., Sievers-Engler, A., Ansideri, F., Koch, P., Laemmerhofer, M., Stehle, T., Laufer, S.A., Boeckler, F.M.
J Am Chem Soc 137, pp. 14640 (2015)
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PubMed ID: 26505827 - Triple helical collagen-like peptide interactions with selected polyphenolic compounds.
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RSC Adv 5, pp. 95443 (2015)
DOI: 10.1039/c5ra15469c - The Crystal Structure of the NHL Domain in Complex with RNA Reveals the Molecular Basis of Drosophila Brain-Tumor-Mediated Gene Regulation.
Loedige, I., Jakob, L., Treiber, T., Ray, D., Stotz, M., Treiber, N., Hennig, J., Cook, K.B., Morris, Q., Hughes, T.R., Engelmann, J.C., Krahn, M.P., Meister, G.
Cell Rep 13, pp. 1206 (2015)
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PubMed ID: 26527002 - Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
Christopeit, T., Carlsen, T.J.O., Helland, R., Leiros, H.K.S.
J Med Chem 58, pp. 8671 (2015)
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PubMed ID: 26477515 - Phosphate binding in the active centre of tomato multifunctional nuclease TBN1 and analysis of superhelix formation by the enzyme
Stransky, J., Koval, T., Podzimek, T., Tycova, A., Lipovova, P., Matousek, J., Kolenko, P., Fejfarova, K., Duskova, J., Skalova, T., Hasek, J., Dohnalek, J.
Acta Crystallogr Sect F Struct Biol Cryst Commun 71, pp. 1408 (2015)
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PubMed ID: 26527269 - Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Zak, K.M., Kitel, R., Przetocka, S., Golik, P., Guzik, K., Musielak, B., Domling, A., Dubin, G., Holak, T.A.
Structure 23, pp. 2341 (2015)
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PubMed ID: 26602187 - Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-Binding Sites Involved in Nuclear Export.
Port, S.A., Monecke, T., Dickmanns, A., Spillner, C., Hofele, R., Urlaub, H., Ficner, R., Kehlenbach, R.H.
Cell Rep 13, pp. 690 (2015)
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PubMed ID: 26489467 - Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Muhammad, K., Reddy-Alla, S., Driller, J.H., Schreiner, D., Rey, U., Bohme, M.A., Hollmann, C., Ramesh, N., Depner, H., Lutzkendorf, J., Matkovic, T., Gotz, T., Bergeron, D.D., Schmoranzer, J., Goettfert, F., Holt, M., Wahl, M.C., Hell, S.W., Scheiffele, P., Walter, A.M., Loll, B., Sigrist, S.J.
Nat Commun 6, pp. 8362 (2015)
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PubMed ID: 26471740 - Crystal structure of the bacteriophage P2 integrase catalytic domain.
Skaar, K., Claesson, M., Odegrip, R., Hogbom, M., Haggard-Ljungquist, E., Stenmark, P.
FEBS Lett 589, pp. 3556 (2015)
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PubMed ID: 26453836 - High resolution structure of an M23 peptidase with a substrate analogue.
Grabowska, M., Jagielska, E., Czapinska, H., Bochtler, M., Sabala, I.
Sci Rep 5, pp. 14833 (2015)
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PubMed ID: 26437833 - Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Core Nuclear Egress Complex Provides Insight into a Unique Assembly Scaffold for Virus-Host Protein Interactions.
Walzer, S.A., Egerer-Sieber, C., Sticht, H., Sevvana, M., Hohl, K., Milbradt, J., Muller, Y.A., Marschall, M.
J Biol Chem 290, pp. 27452 (2015)
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PubMed ID: 26432641 - Architecture of the eIF2B regulatory subcomplex and its implications for the regulation of guanine nucleotide exchange on eIF2.
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Nucleic Acids Res 43, pp. 9994 (2015)
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PubMed ID: 26384431 - Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data.
Krimmer, S.G., Klebe, G.
J Comput Aided Mol Des 29, pp. 867 (2015)
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PubMed ID: 26376645 - PspF-binding domain PspA1-144 and the PspAF complex: New insights into the coiled-coil-dependent regulation of AAA+ proteins.
Osadnik, H., Schopfel, M., Heidrich, E., Mehner, D., Lilie, H., Parthier, C., Risselada, H.J., Grubmuller, H., Stubbs, M.T., Bruser, T.
Mol Microbiol 98, pp. 743 (2015)
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PubMed ID: 26235546 - Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.
Kroon, E., Schulze, J.O., Suss, E., Camacho, C.J., Biondi, R.M., Domling, A.
Angew Chem Int Ed Engl 54, pp. 13933 (2015)
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PubMed ID: 26385475 - Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor.
Griese, J.J., Kositzki, R., Schrapers, P., Branca, R.M., Nordstrom, A., Lehtio, J., Haumann, M., Hogbom, M.
J Biol Chem 290, pp. 25254 (2015)
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PubMed ID: 26324712 - Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype.
Lapkouski, M., Hallberg, B.M.
Nucleic Acids Res 43, pp. 9065 (2015)
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PubMed ID: 26319014 - Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.
Borisek, J., Vizovisek, M., Sosnowski, P., Turk, B., Turk, D., Mohar, B., Novic, M.
J Med Chem 58, pp. 6928 (2015)
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PubMed ID: 26280490 - Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
Ruehmann, E., Betz, M., Heine, A., Klebe, G.
J Med Chem 58, pp. 6960 (2015)
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PubMed ID: 26270568 - A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones.
Siebert, M., Bohme, M.A., Driller, J.H., Babikir, H., Mampell, M.M., Rey, U., Ramesh, N., Matkovic, T., Holton, N., Reddy-Alla, S., Gottfert, F., Kamin, D., Quentin, C., Klinedinst, S., Andlauer, T.F., Hell, S.W., Collins, C.A., Wahl, M.C., Loll, B., Sigrist, S.J.
Elife 4, pp. e06935 (2015)
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PubMed ID: 26274777 - The Crystal Structure of the Thiocyanate-Forming Protein from Thlaspi Arvense, a Kelch Protein Involved in Glucosinolate Breakdown.
Gumz, F., Krausze, J., Eisenschmidt, D., Backenkohler, A., Barleben, L., Brandt, W., Wittstock, U.
Plant Mol Biol 89, pp. 67 (2015)
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PubMed ID: 26260516 - Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Hebecker, S., Krausze, J., Hasenkampf, T., Schneider, J., Groenewold, M., Reichelt, J., Jahn, D., Heinz, D.W., Moser, J.
Proc Natl Acad Sci U S A 112, pp. 10691 (2015)
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PubMed ID: 26261323 - Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
Stellmacher, L., Sandalova, T., Leptihn, S., Schneider, G., Sprenger, G.A., Samland, A.K.
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PubMed ID: 26205495 - Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
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Science 348, pp. 1106 (2015)
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PubMed ID: 25974265 - Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II.
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PubMed ID: 25923815 - Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands.
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Structure 23, pp. 1005 (2015)
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Nucleic Acids Res 43, pp. 5664 (2015)
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PubMed ID: 25953853 - The 3D Structure of Kaposi Sarcoma Herpesvirus Lana C-Terminal Domain Bound to DNA.
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PubMed ID: 25897704 - How the [NiFe4S4] Cluster of CO Dehydrogenase Activates CO2 and NCO(-).
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PubMed ID: 25945585 - The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
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Structure 23, pp. 851 (2015)
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Grosskopf, S., Eckert, C., Arkona, C., Radetzki, S., Bohm, K., Heinemann, U., Wolber, G., Von Kries, J., Birchmeier, W., Rademann, J.
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PubMed ID: 25877780 - Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination.
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Structure 23, pp. 882 (2015)
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PubMed ID: 25865244 - A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions.
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PubMed ID: 25849401 - A noncanonical PWI domain in the N-terminal helicase-associated region of the spliceosomal Brr2 protein.
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PubMed ID: 25849387 - Crystal Structures of the Kinase Domain of the Sulfate-Activating Complex in Mycobacterium tuberculosis.
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PLoS One 10, pp. e0121494 (2015)
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PubMed ID: 25807013 - A Universal Stress Protein (Usp) in Mycobacteria Binds Camp
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PLoS One 10, pp. e0120682 (2015)
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PubMed ID: 25798914 - The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways.
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PubMed ID: 25784552 - Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor.
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PubMed ID: 25751579 - Structural and Mechanistic Analysis of the Slx1-Slx4 Endonuclease.
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PubMed ID: 25695864 - An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction.
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PubMed ID: 25706582 - High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis.
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PubMed ID: 25886849 - Crystal structure and enzymatic properties of a broad substrate-specificity psychrophilic aminotransferase from the Antarctic soil bacterium Psychrobacter sp. B6.
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PubMed ID: 25760611 - Four crystal structures of human LLT1, a ligand of human NKR-P1, in varied glycosylation and oligomerization states
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PubMed ID: 25760607 - Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
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PubMed ID: 25760594 - Structural basis of the stereospecificity of bacterial B12-dependent 2-hydroxyisobutyryl-CoA mutase.
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PubMed ID: 25720495 - Interaction of the amyloid precursor protein-like protein 1 (APLP1) E2 domain with heparan sulfate involves two distinct binding modes.
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PubMed ID: 25760599 - Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors.
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PubMed ID: 25768698 - High-resolution crystal structure of Z-DNA in complex with Cr(3+) cations.
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PubMed ID: 25687556 - Structural basis of functional diversification of the HD-GYP domain revealed by the Pseudomonas aeruginosa PA4781 protein, which displays an unselective bimetallic binding site.
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PubMed ID: 25691523 - The dimeric crystal structure of the human fertility lipocalin glycodelin reveals a protein scaffold for the presentation of complex glycans.
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PubMed ID: 25422905 - How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state.
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PubMed ID: 25601024 - Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
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PubMed ID: 25599396 - Structure and heme-binding properties of HemQ (chlorite dismutase-like protein) from Listeria monocytogenes.
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Structure 22, pp. 923 (2014)
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PubMed ID: 24744237 - Structural Differences Explain Diverse Functions of Plasmodium Actins.
Vahokoski, J., Bhargav, S.P., Desfosses, A., Andreadaki, M., Kumpula, E., Martinez, S.M., Ignatev, A., Lepper, S., Frischknecht, F., Siden-Kiamos, I., Sachse, C., Kursula, I.
PLoS Pathog 10, pp. 4091 (2014)
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PubMed ID: 24743229 - High resolution crystal structure of Clostridium propionicum beta-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily.
Heine, A., Herrmann, G., Selmer, T., Terwesten, F., Buckel, W., Reuter, K.
Proteins 82, pp. 2041 (2014)
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PubMed ID: 24623648 - Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
Schiebel, J., Chang, A., Shah, S., Lu, Y., Liu, L., Pan, P., Hirschbeck, M.W., Tareilus, M., Eltschkner, S., Yu, W., Cummings, J.E., Knudson, S.E., Bommineni, G.R., Walker, S.G., Slayden, R.A., Sotriffer, C.A., Tonge, P.J., Kisker, C.
J Biol Chem 289, pp. 15987 (2014)
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PubMed ID: 24739388 - Structure of the Toll-Spatzle complex, a molecular hub in Drosophila development and innate immunity.
Parthier, C., Stelter, M., Ursel, C., Fandrich, U., Lilie, H., Breithaupt, C., Stubbs, M.T.
Proc Natl Acad Sci U S A 111, pp. 6281 (2014)
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PubMed ID: 24733933 - Dynamics and hydration explain failed functional transformation in dehalogenase design.
Sykora, J., Brezovsky, J., Koudelakova, T., Lahoda, M., Fortova, A., Chernovets, T., Chaloupkova, R., Stepankova, V., Prokop, Z., Smatanova, I.K., Hof, M., Damborsky, J.
Nat Chem Biol 10, pp. 428 (2014)
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PubMed ID: 24727901 - Structural and Functional Studies on a Thermostable Polyethylene Terephthalate Degrading Hydrolase from Thermobifida Fusca.
Roth, C., Wei, R., Oeser, T., Then, J., Follner, C., Zimmermann, W., Strater, N.
Appl Microbiol Biotechnol 98, pp. 7815 (2014)
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PubMed ID: 24728714 - Reversible [4Fe-3S] cluster morphing in an O2-tolerant [NiFe] hydrogenase.
Frielingsdorf, S., Fritsch, J., Schmidt, A., Hammer, M., Lowenstein, J., Siebert, E., Pelmenschikov, V., Jaenicke, T., Kalms, J., Rippers, Y., Lendzian, F., Zebger, I., Teutloff, C., Kaupp, M., Bittl, R., Hildebrandt, P., Friedrich, B., Lenz, O., Scheerer, P.
Nat Chem Biol 10, pp. 378 (2014)
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PubMed ID: 24705592 - Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Neumann, P., Lakomek, K., Naumann, P.T., Erwin, W.M., Lauhon, C.T., Ficner, R.
Nucleic Acids Res 42, pp. 6673 (2014)
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PubMed ID: 24705700 - Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Tresaugues, L., Silvander, C., Flodin, S., Welin, M., Nyman, T., Graslund, S., Hammarstrom, M., Berglund, H., Nordlund, P.
Structure 22, pp. 744 (2014)
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PubMed ID: 24704254 - MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Gad, H., Koolmeister, T., Jemth, A.S., Eshtad, S., Jacques, S.A., Strom, C.E., Svensson, L.M., Schultz, N., Lundback, T., Einarsdottir, B.O., Saleh, A., Gokturk, C., Baranczewski, P., Svensson, R., Berntsson, R.P., Gustafsson, R., Stromberg, K., Sanjiv, K., Jacques-Cordonnier, M.C., Desroses, M., Gustavsson, A.L., Olofsson, R., Johansson, F., Homan, E.J., Loseva, O., Brautigam, L., Johansson, L., Hoglund, A., Hagenkort, A., Pham, T., Altun, M., Gaugaz, F.Z., Vikingsson, S., Evers, B., Henriksson, M., Vallin, K.S., Wallner, O.A., Hammarstrom, L.G., Wiita, E., Almlof, I., Kalderen, C., Axelsson, H., Djureinovic, T., Puigvert, J.C., Haggblad, M., Jeppsson, F., Martens, U., Lundin, C., Lundgren, B., Granelli, I., Jensen, A.J., Artursson, P., Nilsson, J.A., Stenmark, P., Scobie, M., Berglund, U.W., Helleday, T.
Nature 508, pp. 215 (2014)
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PubMed ID: 24695224 - X-ray Structures of Human Furin in Complex with Competitive Inhibitors.
Dahms, S.O., Hardes, K., Becker, G.L., Steinmetzer, T., Brandstetter, H., Than, M.E.
ACS Chem Biol 9, pp. 1113 (2014)
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PubMed ID: 24666235 - eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Kuhle, B., Ficner, R.
EMBO J 33, pp. 1177 (2014)
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PubMed ID: 24686316 - Structural Insights Into RNA Encapsidation and Helical Assembly of the Toscana Virus Nucleoprotein.
Olal, D., Dick, A., Woods, V.L., Liu, T., Li, S., Devignot, S., Weber, F., Saphire, E.O., Daumke, O.
Nucleic Acids Res 42, pp. 6025 (2014)
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PubMed ID: 24688060 - Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Zebisch, M., Krauss, M., Schafer, P., Strater, N.
Acta Crystallogr D Biol Crystallogr 70, pp. 1147 (2014)
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PubMed ID: 24699658 - Crystallographic Characterization of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus.
Thomsen, M., Skalden, L., Palm, G.J., Hohne, M., Bornscheuer, U.T., Hinrichs, W.
Acta Crystallogr D Biol Crystallogr 70, pp. 1086 (2014)
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PubMed ID: 24699652 - Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors.
Krimmer, S.G., Betz, M., Heine, A., Klebe, G.
ChemMedChem 4, pp. 833 (2014)
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PubMed ID: 24623396 - Ty3 reverse transcriptase complexed with an RNA-DNA hybrid shows structural and functional asymmetry.
Nowak, E., Miller, J.T., Bona, M.K., Studnicka, J., Szczepanowski, R.H., Jurkowski, J., Le Grice, S.F., Nowotny, M.
Nat Struct Mol Biol 21, pp. 389 (2014)
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PubMed ID: 24608367 - Crystal Structures of the Novel Cytosolic 5'-Nucleotidase IIIB Explain Its Preference for m7GMP
Monecke, T., Buschmann, J., Neumann, P., Wahle, E., Ficner, R.
PLoS One 9, pp. e90915 (2014)
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PubMed ID: 24603684 - Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor.
Stsiapanava, A., Olsson, U., Wan, M., Kleinschmidt, T., Rutishauser, D., Zubarev, R.A., Samuelsson, B., Rinaldo-Matthis, A., Haeggstrom, J.Z.
Proc Natl Acad Sci U S A 111, pp. 4227 (2014)
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PubMed ID: 24591641 - Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Suhre, M.H., Gertz, M., Steegborn, C., Scheibel, T.
Nat Commun 5, pp. 3392 (2014)
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PubMed ID: 24569701 - Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Kleinboelting, S., Diaz, A., Moniot, S., Van Den Heuvel, J., Weyand, M., Levin, L.R., Buck, J., Steegborn, C.
Proc Natl Acad Sci U S A 111, pp. 3727 (2014)
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PubMed ID: 24567411 - Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
Lehneck, R., Neumann, P., Vullo, D., Elleuche, S., Supuran, C.T., Ficner, R., Poggeler, S.
FEBS J 281, pp. 1759 (2014)
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PubMed ID: 24506675 - Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2.
Nikonov, O., Stolboushkina, E., Arkhipova, V., Kravchenko, O., Nikonov, S., Garber, M.
Acta Crystallogr D Biol Crystallogr 70, pp. 658 (2014)
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PubMed ID: 24598735 - Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution
Malecki, P.H., Vorgias, C.E., Petoukhov, M.V., Svergun, D.I., Rypniewski, W.
Acta Crystallogr D Biol Crystallogr 70, pp. 676 (2014)
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PubMed ID: 24598737 - Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Mondal, M., Radeva, N., Koster, H., Park, A., Potamitis, C., Zervou, M., Klebe, G., Hirsch, A.K.
Angew Chem Int Ed Engl 53, pp. 3259 (2014)
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PubMed ID: 24532096 - N-terminal protein modification by substrate-activated reverse proteolysis.
Liebscher, S., Schopfel, M., Aumuller, T., Sharkhuukhen, A., Pech, A., Hoss, E., Parthier, C., Jahreis, G., Stubbs, M.T., Bordusa, F.
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PubMed ID: 24520050 - Structural Insights Into Membrane Interaction and Caveolar Targeting of Dynamin-Like Ehd2.
Shah, C., Hegde, B.G., Mor, B., Behrmann, E., Mielke, T., Moenke, G., Spahn, C.M., Lundmark, R., Daumke, O., Langen, R.
Structure 22, pp. 409 (2014)
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PubMed ID: 24508342 - An Artificial Imine Reductase based on the Ribonuclease S Scaffold
Genz, M., Koehler, V., Krauss, M., Singer, D., Hoffmann, R., Ward, T.R., Strater, N.
ChemCatChem 6, pp. 736 (2014)
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Acta Crystallogr D Biol Crystallogr 70, pp. 461 (2014)
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PubMed ID: 24531480 - Crystal Structure of Ntpdase2 in Complex with the Sulfoanthraquinone Inhibitor Psb-071.
Zebisch, M., Baqi, Y., Schafer, P., Muller, C.E., Strater, N.
J Struct Biol 185, pp. 336 (2014)
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PubMed ID: 24462745 - Xanthomonins I-III: A New Class of Lasso Peptides with a Seven-Residue Macrolactam Ring.
Hegemann, J.D., Zimmermann, M., Zhu, S., Steuber, H., Harms, K., Xie, X., Marahiel, M.A.
Angew Chem Int Ed Engl 53, pp. 2230 (2014)
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PubMed ID: 24446383 - Structural Basis of Thermal Stability of the Tungsten Cofactor Synthesis Protein MoaB from Pyrococcus furiosus.
Havarushka, N., Fischer-Schrader, K., Lamkemeyer, T., Schwarz, G.
PLoS One 9, pp. e86030 (2014)
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PubMed ID: 24465852 - Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Lahoda, M., Mesters, J.R., Stsiapanava, A., Chaloupkova, R., Kuty, M., Damborsky, J., Kuta Smatanova, I.
Acta Crystallogr D Biol Crystallogr 70, pp. 209 (2014)
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PubMed ID: 24531456 - Structural integrity of the PCI domain of eIF3a/TIF32 is required for mRNA recruitment to the 43S pre-initiation complexes.
Khoshnevis, S., Gunisova, S., Vlckova, V., Kouba, T., Neumann, P., Beznoskova, P., Ficner, R., Valasek, L.S.
Nucleic Acids Res 42, pp. 4123 (2014)
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PubMed ID: 24423867 - Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
Niegowski, D., Kleinschmidt, T., Olsson, U., Ahmad, S., Rinaldo-Matthis, A., Haeggstrom, J.Z.
J Biol Chem 289, pp. 5199 (2014)
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PubMed ID: 24366866 - Cyclolization of d-lysergic Acid alkaloid peptides.
Havemann, J., Vogel, D., Loll, B., Keller, U.
Chem Biol 21, pp. 146 (2014)
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PubMed ID: 24361048 - Chronophin Dimerization is Required for Proper Positioning of its Substrate Specificity Loop.
Kestler, C., Knobloch, G., Tessmer, I., Jeanclos, E., Schindelin, H., Gohla, A.
J Biol Chem 289, pp. 3094 (2014)
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PubMed ID: 24338687 - An Organometallic Inhibitor for the Human Repair Enzyme 7,8-Dihydro-8-oxoguanosine Triphosphatase.
Streib, M., Kraeling, K., Richter, K., Xie, X., Steuber, H., Meggers, E.
Angew Chem Int Ed Engl 53, pp. 305 (2014)
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PubMed ID: 24258965 - Cytochrome c6B of Synechococcus sp. WH 8102 - Crystal structure and basic properties of novel c6-like family representative.
Zatwarnicki, P., Barciszewski, J., Krzywda, S., Jaskolski, M., Kolesinski, P., Szczepaniak, A.
Biochem Biophys Res Commun 443, pp. 1131 (2014)
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PubMed ID: 24216109 - The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc.
Ilari, A., Alaleona, F., Tria, G., Petrarca, P., Battistoni, A., Zamparelli, C., Verzili, D., Falconi, M., Chiancone, E.
Biochim Biophys Acta 1840, pp. 535 (2014)
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PubMed ID: 24128931 - Structure-guided engineering of Anticalins with improved binding behavior and biochemical characteristics for application in radio-immuno imaging and/or therapy
Eggenstein, E., Eichinger, A., Kim, H.J., Skerra, A.
J Struct Biol 185, pp. 203 (2014)
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PubMed ID: 23542582 - Molecular Dynamic Studies of Reaction Centers Mutants from Rhodobacter sphaeroides and his mutant form L(M196)H+H(M202)L
Kljashtorny, V.G., Fufina, T.Y., Vasilieva, L.G., Gabdulkhakov, A.G.
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PubMed ID: 23807078 - Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity.
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Cell Host Microbe 14, pp. 619 (2013)
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Biochemistry 52, pp. 8972 (2013)
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PubMed ID: 24295282 - Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
Lindgren, A.E., Karlberg, T., Ekblad, T., Spjut, S., Thorsell, A.G., Andersson, C.D., Nhan, T.T., Hellsten, V., Weigelt, J., Linusson, A., Schuler, H., Elofsson, M.
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PubMed ID: 24188023 - Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer.
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PubMed ID: 24307504 - Structure of the Cyanobacterial Phytochrome 2 Photosensor Implies a Tryptophan Switch for Phytochrome Signaling.
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PubMed ID: 24174528 - A Structural Basis for Brd2/4-Mediated Host Chromatin Interaction and Oligomer Assembly of Kaposi Sarcoma-Associated Herpesvirus and Murine Gammaherpesvirus Lana Proteins.
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PubMed ID: 24126709 - Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
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PubMed ID: 24101498 - Crystal structure of native and a mutant of Lampyris turkestanicus luciferase implicate in bioluminescence color shift.
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PubMed ID: 24103420 - The ATP/ADP substrate specificity switch between Toxoplasma gondii NTPDase1 and NTPDase3 is caused by an altered mode of binding of the substrate base.
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PubMed ID: 24115522 - Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Harijan, R.K., Kiema, T.-R., Karjalainen, M.P., Janardan, N., Murthy, M.R.N., Weiss, M.S., Michels, P.A.M., Wierenga, R.K.
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PubMed ID: 23909465 - A Helical Rgd Motif Promoting Cell Adhesion: Crystal Structures of the Helicobacter Pylori Type Iv Secretion System Pilus Protein Cagl
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PubMed ID: 24076404 - Crystal structure and pharmacological characterization of a novel N-methyl-D-aspartate (NMDA) receptor antagonist at the GluN1 glycine binding site.
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PubMed ID: 24072709 - Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants.
Stieler, M., Weber, J., Hils, M., Kolb, P., Heine, A., Buchold, C., Pasternack, R., Klebe, G.
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PubMed ID: 24115223 - Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh
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PubMed ID: 24029071 - Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis
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PubMed ID: 24021815 - Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor
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PubMed ID: 24551564 - Opsin, a structural model for olfactory receptors?
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PubMed ID: 23911092 - Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses.
Wenger, J., Klinglmayr, E., Frohlich, C., Eibl, C., Gimeno, A., Hessenberger, M., Puehringer, S., Daumke, O., Goettig, P.
PLoS One 8, pp. e71835 (2013)
DOI: 10.1371/journal.pone.0071835
PubMed ID: 23977156 - Structural and Thermodynamic Insight Into Phenylalanine Hydroxylase from the Human Pathogen Legionella Pneumophila.
Leiros, H.S., Flydal, M.I., Martinez, A.
FEBS Open Bio 3, pp. 370 (2013)
DOI: 10.1016/j.fob.2013.08.006
PubMed ID: 24251098 - Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Ludtke, S., Neumann, P., Erixon, K.M., Leeper, F., Kluger, R., Ficner, R., Tittmann, K.
Nat Chem 5, pp. 762 (2013)
DOI: 10.1038/nchem.1728
PubMed ID: 23965678 - 1.2 A Resolution Crystal Structure of Escherichia Coli Wrba Holoprotein
Kishko, I., Carey, J., Reha, D., Brynda, J., Winkler, R., Harish, B., Guerra, R., Ettrichova, O., Kukacka, Z., Sheryemyetyeva, O., Novak, P., Kuty, M., Kuta Smatanova, I., Ettrich, R., Lapkouski, M.
Acta Crystallogr D Biol Crystallogr 69, pp. 1757 (2013)
DOI: 10.1107/s0907444913017162
PubMed ID: 23999298 - Putative Dioxygen-Binding Sites and Recognition of Tigecycline and Minocycline in the Tetracycline-Degrading Monooxygenase Tetx
Volkers, G., Damas, J.M., Palm, G.J., Panjikar, S., Soares, C.M., Hinrichs, W.
Acta Crystallogr D Biol Crystallogr 69, pp. 1758 (2013)
DOI: 10.1107/s0907444913013802
PubMed ID: 23999299 - Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Berntsson, R.P., Peng, L., Svensson, L.M., Dong, M., Stenmark, P.
Structure 21, pp. 1602 (2013)
DOI: 10.1016/j.str.2013.06.026
PubMed ID: 23932591 - In Situ Structural Analysis of the Yersinia Enterocolitica Injectisome.
Kudryashev, M., Stenta, M., Schmelz, S., Amstutz, M., Wiesand, U., Castano-Diez, D., Degiacomi, M.T., Munnich, S., Bleck, C.K., Kowal, J., Diepold, A., Heinz, D.W., Dal Peraro, M., Cornelis, G.R., Stahlberg, H.
Elife 2, pp. e00792 (2013)
DOI: 10.7554/elife.00792
PubMed ID: 23908767 - Hfq binds ribonucleotides in three different RNA-binding sites.
Murina, V., Lekontseva, N., Nikulin, A.
Acta Crystallogr D Biol Crystallogr 69, pp. 1504 (2013)
DOI: 10.1107/s090744491301010x
PubMed ID: 23897473 - Structures of Human Sirtuin 3 Complexes with Adp-Ribose and with Carba-Nad+ and Srt1720: Binding Details and Inhibition Mechanism
Nguyen, G.T.T., Schaefer, S., Gertz, M., Weyand, M., Steegborn, C.
Acta Crystallogr D Biol Crystallogr 69, pp. 1423 (2013)
DOI: 10.1107/s0907444913015448
PubMed ID: 23897466 - Visualizing the Substrate-, Superoxo-, Alkylperoxo- and Product-Bound States at the Non-Heme Fe(II) Site of Homogentisate Dioxygenase
Jeoung, J.-H., Bommer, M., Lin, T.-Y., Dobbek, H.
Proc Natl Acad Sci U S A 110, pp. 12625 (2013)
DOI: 10.1073/pnas.1302144110
PubMed ID: 23858455 - Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Gertz, M., Fischer, F., Nguyen, G.T.T., Lakshminarasimhan, M., Schutkowski, M., Weyand, M., Steegborn, C.
Proc Natl Acad Sci U S A 110, pp. E2772 (2013)
DOI: 10.1073/pnas.1303628110
PubMed ID: 23840057 - Base-modified donor analogues reveal novel dynamic features of a glycosyltransferase.
Jrgensen, R., Pesnot, T., Lee, H.J., Palcic, M.M., Wagner, G.K.
J Biol Chem 288, pp. 26201 (2013)
DOI: 10.1074/jbc.m113.465963
PubMed ID: 23836908 - Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Zebisch, M., Krauss, M., Schaefer, P., Lauble, P., Straeter, N.
Structure 21, pp. 1460 (2013)
DOI: 10.1016/j.str.2013.05.016
PubMed ID: 23830739 - Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization
Sanchez-Vallet, A., Saleem-Batcha, R., Kombrink, A., Hansen, G., Valkenburg, D.J., Thomma, B.P.H.J., Mesters, J.R.
Elife 2, pp. e00790 (2013)
DOI: 10.7554/elife.00790
PubMed ID: 23840930 - Ferrocene-Biotin Conjugates Targeting Cancer Cells: Synthesis, Interaction with Avidin, Cytotoxic Properties and the Crystal Structure of the Complex of Avidin with a Biotin-Linker-Ferrocene Conjugate
Plazuk, D., Zakrzewski, J., Salmain, M., Blauz, A., Rychlik, B., Strzelczyk, P., Bujacz, A., Bujacz, G.
Organometallics 32, pp. 5774 (2013)
DOI: 10.1021/om4003126 - Crystallographic analysis and structure-guided engineering of NADPH-dependent Ralstonia sp. Alcohol dehydrogenase toward NADH cosubstrate specificity.
Lerchner, A., Jarasch, A., Meining, W., Schiefner, A., Skerra, A.
Biotechnol Bioeng 110, pp. 2803 (2013)
DOI: 10.1002/bit.24956
PubMed ID: 23686719 - Substrate Specificity and Oligomerization of Human Gmp Synthetase
Welin, M., Lehtio, L., Johansson, A., Flodin, S., Nyman, T., Tresaugues, L., Hammarstrom, M., Graslund, S., Nordlund, P.
J Mol Biol 425, pp. 4323 (2013)
DOI: 10.1016/j.jmb.2013.06.032
PubMed ID: 23816837 - Identification of a Novel Tgf-Beta-Binding Site in the Zona Pellucida C-Terminal (Zp-C) Domain of Tgf-Beta-Receptor-3 (Tgfr-3).
Diestel, U., Resch, M., Meinhardt, K., Weiler, S., Hellmann, T.V., Mueller, T.D., Nickel, J., Eichler, J., Muller, Y.A.
PLoS One 8, pp. 67214 (2013)
DOI: 10.1371/journal.pone.0067214
PubMed ID: 23826237 - PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Lindgren, A.E.G., Karlberg, T., Thorsell, A.G., Hesse, M., Spjut, S., Ekblad, T., Andersson, C.D., Pinto, A.F., Weigelt, J., Hottiger, M.O., Linusson, A., Elofsson, M., Schuler, H.
ACS Chem Biol 8, pp. 1698 (2013)
DOI: 10.1021/cb4002014
PubMed ID: 23742272 - Crystallographic studies of the complexes of bovine and equine serum albumin with 3,5-diiodosalicylic acid.
Sekula, B., Zielinski, K., Bujacz, A.
Int J Biol Macromol 60C, pp. 316 (2013)
DOI: 10.1016/j.ijbiomac.2013.06.004
PubMed ID: 23769932 - 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes.
Bohme, T., Engel, C.K., Farjot, G., Gussregen, S., Haack, T., Tschank, G., Ritter, K.
Bioorg Med Chem Lett 23, pp. 4685 (2013)
DOI: 10.1016/j.bmcl.2013.05.102
PubMed ID: 23845218 - Full-length structure of a sensor histidine kinase pinpoints coaxial coiled coils as signal transducers and modulators.
Diensthuber, R.P., Bommer, M., Gleichmann, T., Moglich, A.
Structure 21, pp. 1127 (2013)
DOI: 10.1016/j.str.2013.04.024
PubMed ID: 23746806 - Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Chang, A., Schiebel, J., Yu, W., Bommineni, G.R., Pan, P., Baxter, M.V., Khanna, A., Sotriffer, C.A., Kisker, C.F., Tonge, P.J.
Biochemistry 52, pp. 4217 (2013)
DOI: 10.1021/bi400413c
PubMed ID: 23697754 - Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Baiocco, P., Poce, G., Alfonso, S., Cocozza, M., Porretta, G.C., Colotti, G., Biava, M., Moraca, F., Botta, M., Yardley, V., Fiorillo, A., Lantella, A., Malatesta, F., Ilari, A.
ChemMedChem 8, pp. 1175 (2013)
DOI: 10.1002/cmdc.201300176
PubMed ID: 23733388 - Enzymatic Production of 'Monoclonal Stoichiometric' Single-Stranded DNA Oligonucleotides
Ducani, C., Kaul, C.D., Moche, M., Shih, W.M., Hogberg, B.
Nat Methods 10, pp. 647 (2013)
DOI: 10.1038/nmeth.2503
PubMed ID: 23727986 - Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements.
Nayeem, N., Mayans, O., Green, T.
Open Biol 3, pp. 0051 (2013)
DOI: 10.1098/rsob.130051
PubMed ID: 23720540 - Inhibition of RNA helicase Brr2 by the C-terminal tail of the spliceosomal protein Prp8.
Mozaffari-Jovin, S., Wandersleben, T., Santos, K.F., Will, C.L., Luhrmann, R., Wahl, M.C.
Science 341, pp. 80 (2013)
DOI: 10.1126/science.1237515
PubMed ID: 23704370 - Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Biela, I., Tidten-Luksch, N., Immekus, F., Glinca, S., Nguyen, T.X., Gerber, H.D., Heine, A., Klebe, G., Reuter, K.
PLoS One 8, pp. e64240 (2013)
DOI: 10.1371/journal.pone.0064240
PubMed ID: 23704982 - Ultrahigh-resolution crystal structures of Z-DNA in complex with Mn(2+) and Zn(2+) ions.
Drozdzal, P., Gilski, M., Kierzek, R., Lomozik, L., Jaskolski, M.
Acta Crystallogr D Biol Crystallogr 69, pp. 1180 (2013)
DOI: 10.1107/s0907444913007798
PubMed ID: 23695262 - The crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 represents a conformational intermediate in the reductive activation mechanism of the tetrameric enzyme.
Krug, U., Totzauer, R., Strater, N.
Proteins 81, pp. 1271 (2013)
DOI: 10.1002/prot.24288
PubMed ID: 23526564 - Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Wolters, S., Neeb, M., Berim, A., Schulze Wischeler, J., Petersen, M., Heine, A.
Acta Crystallogr D Biol Crystallogr 69, pp. 888 (2013)
DOI: 10.1107/s0907444913002874
PubMed ID: 23633600 - Two Crystal Structures of Bombyx mori Lipoprotein 3 - Structural Characterization of a New 30-kDa Lipoprotein Family Member.
Pietrzyk, A.J., Bujacz, A., Mueller-Dieckmann, J., Lochynska, M., Jaskolski, M., Bujacz, G.
PLoS One 8, pp. e61303 (2013)
DOI: 10.1371/journal.pone.0061303
PubMed ID: 23613829 - Crystal structure of a prokaryotic (6-4) photolyase with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore.
Zhang, F., Scheerer, P., Oberpichler, I., Lamparter, T., Krauss, N.
Proc Natl Acad Sci U S A 110, pp. 7217 (2013)
DOI: 10.1073/pnas.1302377110
PubMed ID: 23589886 - Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
Schiefner, A., Sinz, Q., Neumaier, I., Schwab, W., Skerra, A.
J Biol Chem 288, pp. 16815 (2013)
DOI: 10.1074/jbc.m113.453852
PubMed ID: 23589283 - Structural Insights Into Oligomerization and Mitochondrial Remodelling of Dynamin 1-Like Protein.
Frohlich, C., Grabiger, S., Schwefel, D., Faelber, K., Rosenbaum, E., Mears, J., Rocks, O., Daumke, O.
EMBO J 32, pp. 1280 (2013)
DOI: 10.1038/emboj.2013.74
PubMed ID: 23584531 - Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium
Malecki, P.H., Raczynska, J.E., Vorgias, C.E., Rypniewski, W.
Acta Crystallogr D Biol Crystallogr 69, pp. 821 (2013)
DOI: 10.1107/s0907444913002011
PubMed ID: 23633591 - In vivo phosphorylation and in vitro autophosphorylation-inactivation of Kluyveromyces lactis hexokinase KlHxk1.
Kettner, K., Kuettner, E.B., Otto, A., Lilie, H., Golbik, R.P., Strater, N., Kriegel, T.M.
Biochem Biophys Res Commun 435, pp. 313 (2013)
DOI: 10.1016/j.bbrc.2013.03.121
PubMed ID: 23583397 - Structural Insight Into the Giant Ca(2+)-Binding Adhesin Siie: Implications for the Adhesion of Salmonella Enterica to Polarized Epithelial Cells.
Griessl, M.H., Schmid, B., Kassler, K., Braunsmann, C., Ritter, R., Barlag, B., Stierhof, Y., Sturm, K.U., Danzer, C., Wagner, C., Schaffer, T.E., Sticht, H., Hensel, M., Muller, Y.A.
Structure 21, pp. 741 (2013)
DOI: 10.1016/j.str.2013.02.020
PubMed ID: 23562396 - Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK.
Zahn, M., Berthold, N., Kieslich, B., Knappe, D., Hoffmann, R., Strater, N.
J Mol Biol 425, pp. 2463 (2013)
DOI: 10.1016/j.jmb.2013.03.041
PubMed ID: 23562829 - Organophosphorus acid anhydrolase from Alteromonas macleodii: structural study and functional relationship to prolidases.
Stepankova, A., Duskova, J., Skalova, T., Hasek, J., Koval, T., Ostergaard, L.H., Dohnalek, J.
Acta Crystallogr Sect F Struct Biol Cryst Commun 69, pp. 346 (2013)
DOI: 10.1107/s1744309113002674
PubMed ID: 23545636 - Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp.
Roth, C., Janosch, A.D., Kaschabek, S.R., Schloemann, M., Straeter, N.
Mol Microbiol 88, pp. 254 (2013)
DOI: 10.1111/mmi.12182
PubMed ID: 23421784 - Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus
Volkov, A., Khoshnevis, S., Neumann, P., Herrfurth, C., Wohlwend, D., Ficner, R., Feussner, I.
Acta Crystallogr D Biol Crystallogr 69, pp. 648 (2013)
DOI: 10.1107/s0907444913000991
PubMed ID: 23519674 - Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Forst, A.H., Karlberg, T., Herzog, N., Thorsell, A.G., Gross, A., Feijs, K.L., Verheugd, P., Kursula, P., Nijmeijer, B., Kremmer, E., Kleine, H., Ladurner, A.G., Schuler, H., Luscher, B.
Structure 21, pp. 462 (2013)
DOI: 10.1016/j.str.2012.12.019
PubMed ID: 23473667 - Structural Insights Into the Mechanism of Gtpase Activation in the Gimap Family.
Schwefel, D., Arasu, B.S., Marino, S.F., Lamprecht, B., Koechert, K., Rosenbaum, E., Eichhorst, J., Wiesner, B., Behlke, J., Rocks, O., Mathas, S., Daumke, O.
Structure 21, pp. 550 (2013)
DOI: 10.1016/j.str.2013.01.014
PubMed ID: 23454188 - Crystal Structure Analysis of Human Sirt2 and its Adp-Ribose Complex
Moniot, S., Schutkowski, M., Steegborn, C.
J Struct Biol 182, pp. 136 (2013)
DOI: 10.1016/j.jsb.2013.02.012
PubMed ID: 23454361 - Structural basis for dual roles of Aar2p in U5 snRNP assembly.
Weber, G., Cristao, V.F., Santos, K.F., Jovin, S.M., Heroven, A.C., Holton, N., Luhrmann, R., Beggs, J.D., Wahl, M.C.
Genes Dev 27, pp. 525 (2013)
DOI: 10.1101/gad.213207.113
PubMed ID: 23442228 - Identification of a cation transport pathway in Neisseria meningitidis PorB.
Kattner, C., Zaucha, J., Jaenecke, F., Zachariae, U., Tanabe, M.
Proteins 81, pp. 830 (2013)
DOI: 10.1002/prot.24241
PubMed ID: 23255122 - Ion pathways in the sarcoplasmic reticulum Ca2+-ATPase.
Bublitz, M., Musgaard, M., Poulsen, H., Thogersen, L., Olesen, C., Schiott, B., Morth, J.P., Moller, J.V., Nissen, P.
J Biol Chem 288, pp. 10759 (2013)
DOI: 10.1074/jbc.r112.436550
PubMed ID: 23400778 - Kineococcus Radiotolerans Dps Forms a Heteronuclear Mn-Fe Ferroxidase Center that May Explain the Mn-Dependent Protection Against Oxidative Stress.
Ardini, M., Fiorillo, A., Fittipaldi, M., Stefanini, S., Gatteschi, D., Llari, A., Chiancone, E.
Biochim Biophys Acta 1830, pp. 3745 (2013)
DOI: 10.1016/j.bbagen.2013.02.003
PubMed ID: 23396000 - 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
Tan, J., George, S., Kusov, Y., Perbandt, M., Anemuller, S., Mesters, J.R., Norder, H., Coutard, B., Lacroix, C., Leyssen, P., Neyts, J., Hilgenfeld, R.
J Virol 87, pp. 4339 (2013)
DOI: 10.1128/jvi.01123-12
PubMed ID: 23388726 - Structural analysis of monomeric retroviral reverse transcriptase in complex with an RNA/DNA hybrid
Nowak, E., Potrzebowski, W., Konarev, P.V., Rausch, J.W., Bona, M.K., Svergun, D.I., Bujnicki, J.M., Le Grice, S.F., Nowotny, M.
Nucleic Acids Res 41, pp. 3874 (2013)
DOI: 10.1093/nar/gkt053
PubMed ID: 23382176 - Complexes of ferriheme nitrophorin 4 with low-molecular weight thiol(ate)s occurring in blood plasma
He, C., Nishikawa, K., Erdem, O.F., Reijerse, E., Ogata, H., Lubitz, W., Knipp, M.
J Inorg Biochem 122, pp. 38 (2013)
DOI: 10.1016/j.jinorgbio.2013.01.012
PubMed ID: 23474537 - A study on the interaction of rhodamine B with methylthioadenosine phosphorylase protein sourced from an antarctic soil metagenomic library.
Bartasun, P., Cieslinski, H., Bujacz, A., Wierzbicka-Wos, A., Kur, J.
PLoS One 8, pp. e55697 (2013)
DOI: 10.1371/journal.pone.0055697
PubMed ID: 23383268 - Vaspin inhibits kallikrein 7 by serpin mechanism
Heiker, J.T., Kloting, N., Kovacs, P., Kuettner, E.B., Strater, N., Schultz, S., Kern, M., Stumvoll, M., Bluher, M., Beck-Sickinger, A.G.
Cell Mol Life Sci 70, pp. 2569 (2013)
DOI: 10.1007/s00018-013-1258-8
PubMed ID: 23370777 - Peptide Binding by Catalytic Domains of the Protein Disulfide Isomerase-Related Protein ERp46.
Funkner, A., Parthier, C., Schutkowski, M., Zerweck, J., Lilie, H., Gyrych, N., Fischer, G., Stubbs, M.T., Ferrari, D.M.
J Mol Biol 425, pp. 1340 (2013)
DOI: 10.1016/j.jmb.2013.01.029
PubMed ID: 23376096 - RNase H2 roles in genome integrity revealed by unlinking its activities.
Chon, H., Sparks, J.L., Rychlik, M., Nowotny, M., Burgers, P.M., Crouch, R.J., Cerritelli, S.M.
Nucleic Acids Res 41, pp. 3130 (2013)
DOI: 10.1093/nar/gkt027
PubMed ID: 23355612 - Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists.
Ussing, C.A., Hansen, C.P., Petersen, J.G., Jensen, A.A., Rohde, L.A.H., Ahring, P.K., Nielsen, E.O., Kastrup, J.S., Gajhede, M., Frolund, B., Balle, T.
J Med Chem 56, pp. 940 (2013)
DOI: 10.1021/jm301409f
PubMed ID: 23256554 - Structure of Adp-Aluminium Fluoride-Stabilized Protochlorophyllide Oxidoreductase Complex.
Moser, J., Lange, C., Krausze, J., Rebelein, J., Schubert, W., Ribbe, M.W., Heinz, D.W., Jahn, D.
Proc Natl Acad Sci U S A 110, pp. 2094 (2013)
DOI: 10.1073/pnas.1218303110
PubMed ID: 23341615 - Plant multifunctional nuclease TBN1 with unexpected phospholipase activity: structural study and reaction-mechanism analysis.
Koval, T., Lipovova, P., Podzimek, T., Matousek, J., Duskova, J., Skalova, T., Stepankova, A., Hasek, J., Dohnalek, J.
Acta Crystallogr D Biol Crystallogr 69, pp. 213 (2013)
DOI: 10.1107/s0907444912043697
PubMed ID: 23385457 - Crystal structure of the omega-aminotransferase from Paracoccus denitrificans and its phylogenetic relationship with other class III aminotransferases that have biotechnological potential.
Rausch, C., Lerchner, A., Schiefner, A., Skerra, A.
Proteins 81, pp. 774 (2013)
DOI: 10.1002/prot.24233
PubMed ID: 23239223 - Structural Basis of DNA Loop Recognition by Endonuclease V.
Rosnes, I., Rowe, A.D., Vik, E.S., Forstrom, R.J., Alseth, I., Bjoras, M., Dalhus, B.
Structure 21, pp. 257 (2013)
DOI: 10.1016/j.str.2012.12.007
PubMed ID: 23313664 - Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus Ns2B-Ns3 Protease.
Hammamy, M.Z., Haase, C., Hammami, M., Hilgenfeld, R., Steinmetzer, T.
ChemMedChem 8, pp. 231 (2013)
DOI: 10.1002/cmdc.201200497
PubMed ID: 23307694 - Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel.
Koudelakova, T., Chaloupkova, R., Brezovsky, J., Prokop, Z., Sebestova, E., Hesseler, M., Khabiri, M., Plevaka, M., Kulik, D., Kuta Smatanova, I., Rezacova, P., Ettrich, R., Bornscheuer, U.T., Damborsky, J.
Angew Chem Int Ed Engl 52, pp. 1959 (2013)
DOI: 10.1002/anie.201206708
PubMed ID: 23303607 - Crystal structure of the archaeal translation initiation factor 2 in complex with a GTP analogue and Met-tRNAf(Met.)
Stolboushkina, E., Nikonov, S., Zelinskaya, N., Arkhipova, V., Nikulin, A., Garber, M., Nikonov, O.
J Mol Biol 425, pp. 989 (2013)
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PubMed ID: 23291527 - An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers.
Andres, D., Gohlke, U., Broeker, N.K., Schulze, S., Rabsch, W., Heinemann, U., Barbirz, S., Seckler, R.
Glycobiology 23, pp. 486 (2013)
DOI: 10.1093/glycob/cws224
PubMed ID: 23292517 - Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin.
Biela, A., Nasief, N.N., Betz, M., Heine, A., Hangauer, D., Klebe, G.
Angew Chem Int Ed Engl 52, pp. 1822 (2013)
DOI: 10.1002/anie.201208561
PubMed ID: 23283700 - Structural basis for cooperativity of CRM1 export complex formation.
Monecke, T., Haselbach, D., Voss, B., Russek, A., Neumann, P., Thomson, E., Hurt, E., Zachariae, U., Stark, H., Grubmuller, H., Dickmanns, A., Ficner, R.
Proc Natl Acad Sci U S A 110, pp. 960 (2013)
DOI: 10.1073/pnas.1215214110
PubMed ID: 23277578 - Arranged Sevenfold: Structural Insights Into the C-Terminal Oligomerization Domain of Human C4B-Binding Protein.
Hofmeyer, T., Schmelz, S., Degiacomi, M.T., Peraro, M.D., Daneschdar, M., Scrima, A., Den Heuvel, J.V., Heinz, D.W., Kolmar, H.
J Mol Biol 425, pp. 1302 (2013)
DOI: 10.1016/j.jmb.2012.12.017
PubMed ID: 23274142 - Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Glotzbach, B., Schmelz, S., Reinwarth, M., Christmann, A., Heinz, D.W., Kolmar, H.
Acta Crystallogr D Biol Crystallogr 69, pp. 114 (2013)
DOI: 10.1107/s0907444912043880
PubMed ID: 23275169 - Dynein light chain 8a of Toxoplasma gondii, a unique conoid-localized beta-strand-swapped homodimer, is required for an efficient parasite growth.
Qureshi, B.M., Hofmann, N.E., Arroyo-Olarte, R.D., Nickl, B., Hoehne, W., Jungblut, P.R., Lucius, R., Scheerer, P., Gupta, N.
FASEB J 27, pp. 1034 (2013)
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PubMed ID: 23233536 - Combinatorial design of an Anticalin directed against the extra-domain b for the specific targeting of oncofetal fibronectin
Gebauer, M., Schiefner, A., Matschiner, G., Skerra, A.
J Mol Biol 425, pp. 780 (2013)
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PubMed ID: 23238252 - The Crystal Structure of the Protein-Disulfide Isomerase Family Member ERp27 Provides Insights into Its Substrate Binding Capabilities.
Kober, F.X., Koelmel, W., Kuper, J., Drechsler, J., Mais, C., Hermanns, H.M., Schindelin, H.
J Biol Chem 288, pp. 2029 (2013)
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PubMed ID: 23192347 - Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity.
Broeker, N.K., Gohlke, U., Muller, J.J., Uetrecht, C., Heinemann, U., Seckler, R., Barbirz, S.
Glycobiology 23, pp. 59 (2013)
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PubMed ID: 22923442 - Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
Dowiercial, A., Jarmula, A., Rypniewski, W.R., Wilk, P., Kierdaszuk, B., Rode, W.
Pteridines (2013)
2012
- Insertion of an H-Bonding Residue into the Distal Pocket of the Ferriheme Protein Nitrophorin 4: Effect on Nitrite[BOND]Iron Coordination and Nitrite Disproportionation
He, C., Ogata, H., Knipp, M.
Chem Biodivers 9, pp. 1761 (2012)
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PubMed ID: 22976968 - Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences
Gardill, B.R., Vogl, M.R., Lin, H., Hammond, G.L., Muller, Y.A.
PLoS One 7, pp. 52759 (2012)
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PubMed ID: 23300763 - A molecular mechanism for direct sirtuin activation by resveratrol.
Gertz, M., Nguyen, G.T., Fischer, F., Suenkel, B., Schlicker, C., Franzel, B., Tomaschewski, J., Aladini, F., Becker, C., Wolters, D., Steegborn, C.
PLoS One 7, pp. e49761 (2012)
DOI: 10.1371/journal.pone.0049761
PubMed ID: 23185430 - Crystal Structure of Reduced Msacg, a Putative Nitroreductase from Mycobacterium Smegmatis and a Close Homologue of Mycobacterium Tuberculosis Acg.
Chauviac, F.-X., Bommer, M., Yan, J., Parkin, G., Daviter, T., Lowden, P., Raven, E.L., Thalassinos, K., Keep, N.H.
J Biol Chem 287, pp. 44372 (2012)
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PubMed ID: 23148223 - Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Knapp, K., Zebisch, M., Pippel, J., El-Tayeb, A., Muller, C.E., Strater, N.
Structure 20, pp. 2161 (2012)
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PubMed ID: 23142347 - Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei
Hoeppner, A., Thomas, F., Rueppel, A., Hensel, R., Blankenfeldt, W., Bayer, P., Faust, A.
Acta Crystallogr D Biol Crystallogr 68, pp. 1549 (2012)
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PubMed ID: 23090404 - Comparative biophysical characterization of chicken beta2-microglobulin.
Hee, C.S., Fabian, H., Uchanska-Ziegler, B., Ziegler, A., Loll, B.
Biophys Chem 167, pp. 26 (2012)
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PubMed ID: 22695053 - A Fret Enzyme-Based Probe for Monitoring Hydrogen Sulfide.
Strianese, M., Palm, G.J., Milione, S., Kuhl, O., Hinrichs, W., Pellecchia, C.
Inorg Chem 51, pp. 11220 (2012)
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PubMed ID: 23072298 - Mouse Clr-g, a Ligand for NK Cell Activation Receptor NKR-P1F: Crystal Structure and Biophysical Properties.
Skalova, T., Kotynkova, K., Duskova, J., Hasek, J., Kovai, T., Kolenko, P., Novak, P., Man, P., Hanc, P., Vanek, O., Bezouska, K., Dohnalek, J.
J Immunol 189, pp. 4881 (2012)
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PubMed ID: 23071282 - Structural basis for functional cooperation between tandem helicase cassettes in Brr2-mediated remodeling of the spliceosome.
Santos, K.F., Jovin, S.M., Weber, G., Pena, V., Luhrmann, R., Wahl, M.C.
Proc Natl Acad Sci U S A 109, pp. 17418 (2012)
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PubMed ID: 23045696 - Structural Basis for Promiscuity and Specificity During Candida Glabrata Invasion of Host Epithelia.
Maestre-Reyna, M., Diderrich, R., Veelders, M.S., Eulenburg, G., Kalugin, V., Bruckner, S., Keller, P., Rupp, S., Mosch, H., Essen, L.-O.
Proc Natl Acad Sci U S A 109, pp. 16864 (2012)
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PubMed ID: 23035251 - Determinants of Substrate Specificity and Biochemical Properties of the Sn-Glycerol-3-Phosphate ATP Binding Cassette Transporter (Ugpb-Aec(2) ) of Escherichia Coli.
Wuttge, S., Bommer, M., Jager, F., Martins, B.M., Jacob, S., Licht, A., Scheffel, F., Dobbek, H., Schneider, E.
Mol Microbiol 86, pp. 908 (2012)
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PubMed ID: 23013274 - Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Busschots, K., Lopez-Garcia, L.A., Lammi, C., Stroba, A., Zeuzem, S., Piiper, A., Alzari, P.M., Neimanis, S., Arencibia, J.M., Engel, M., Schulze, J.O., Biondi, R.M.
Chem Biol 19, pp. 1152 (2012)
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PubMed ID: 22999883 - Suppression of Electron Transfer to Dioxygen by Charge Transfer and Electron Transfer Complexes in the FAD-dependent Reductase Component of Toluene Dioxygenase.
Lin, T.Y., Werther, T., Jeoung, J.H., Dobbek, H.
J Biol Chem 287, pp. 38338 (2012)
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PubMed ID: 22992736 - Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Neumann, P., Brodhun, F., Sauer, K., Herrfurth, C., Hamberg, M., Brinkmann, J., Scholz, J., Dickmanns, A., Feussner, I., Ficner, R.
Plant Physiol 160, pp. 1251 (2012)
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PubMed ID: 22987885 - Structures of bovine, equine and leporine serum albumin.
Bujacz, A.
Acta Crystallogr D Biol Crystallogr 68, pp. 1278 (2012)
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PubMed ID: 22993082 - High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
Kugler, J., Schmelz, S., Gentzsch, J., Haid, S., Pollmann, E., Van Den Heuvel, J., Franke, R., Pietschmann, T., Heinz, D.W., Collins, J.
J Biol Chem 287, pp. 39224 (2012)
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PubMed ID: 22965230 - Structural analysis of the C-terminal domain of the spliceosomal helicase Prp22
Kudlinzki, D., Schmitt, A., Christian, H., Ficner, R.
Biol Chem 393, pp. 1131 (2012)
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PubMed ID: 23096351 - Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Eibl, C., Grigoriu, S., Hessenberger, M., Wenger, J., Puehringer, S., Pinheiro, A.S., Wagner, R.N., Proell, M., Reed, J.C., Page, R., Diederichs, K., Peti, W.
Biochemistry 51, pp. 7330 (2012)
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PubMed ID: 22928810 - Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs.
Koch, B., Kolenko, P., Buchholz, M., Ruiz Carrillo, D., Parthier, C., Wermann, M., Rahfeld, J.U., Reuter, G., Schilling, S., Stubbs, M.T., Demuth, H.U.
Biochemistry 51, pp. 7383 (2012)
DOI: 10.1021/bi300687g
PubMed ID: 22897232 - The crystal structures of the tryparedoxin-tryparedoxin peroxidase couple unveil the structural determinants of leishmania detoxification pathway.
Fiorillo, A., Colotti, G., Boffi, A., Baiocco, P., Ilari, A.
PLoS Negl Trop Dis 6, pp. e1781 (2012)
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PubMed ID: 22928053 - Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
Andersson, C.D., Karlberg, T., Ekblad, T., Lindgren, A.E., Thorsell, A.G., Spjut, S., Uciechowska, U., Niemiec, M.S., Wittung-Stafshede, P., Weigelt, J., Elofsson, M., Schuler, H., Linusson, A.
J Med Chem 55, pp. 7706 (2012)
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PubMed ID: 22823910 - Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling
Steinmetzer, T., Baum, B., Biela, A., Klebe, G., Nowak, G., Bucha, E.
ChemMedChem 7, pp. 1965 (2012)
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PubMed ID: 22907907 - High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification.
Pietrzyk, A.J., Panjikar, S., Bujacz, A., Mueller-Dieckmann, J., Lochynska, M., Jaskolski, M., Bujacz, G.
Acta Crystallogr D Biol Crystallogr 68, pp. 1140 (2012)
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PubMed ID: 22948915 - On the ATP-Dependent Activation of the Radical Enzyme (R)-2-Hydroxyisocaproyl-CoA Dehydratase.
Knauer, S.H., Buckel, W., Dobbek, H.
Biochemistry 51, pp. 6609 (2012)
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PubMed ID: 22827463 - Crystal Structure of Plasmodium Falciparum Thioredoxin Reductase, a Validated Drug Target.
Boumis, G., Giardina, G., Angelucci, F., Bellelli, A., Brunori, M., Dimastrogiovanni, D., Saccoccia, F., Miele, A.E.
Biochem Biophys Res Commun 425, pp. 806 (2012)
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PubMed ID: 22889878 - A stomatin dimer modulates the activity of acid-sensing ion channels.
Brand, J., Smith, E.S., Schwefel, D., Lapatsina, L., Poole, K., Omerbasic, D., Kozlenkov, A., Behlke, J., Lewin, G.R., Daumke, O.
EMBO J 31, pp. 3635 (2012)
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PubMed ID: 22850675 - Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Neu, U., Hengel, H., Blaum, B.S., Schowalter, R.M., Macejak, D., Gilbert, M., Wakarchuk, W.W., Imamura, A., Ando, H., Kiso, M., Arnberg, N., Garcea, R.L., Peters, T., Buck, C.B., Stehle, T.
PLoS Pathog 8, pp. e1002738 (2012)
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PubMed ID: 22910713 - Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex.
Schlundt, A., Gunther, S., Sticht, J., Wieczorek, M., Roske, Y., Heinemann, U., Freund, C.
J Mol Biol 423, pp. 294 (2012)
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PubMed ID: 22820093 - Molecular basis of beta-amyloid oligomer recognition with a conformational antibody fragment.
Morgado, I., Wieligmann, K., Bereza, M., Ronicke, R., Meinhardt, K., Annamalai, K., Baumann, M., Wacker, J., Hortschansky, P., Malesevic, M., Parthier, C., Mawrin, C., Schiene-Fischer, C., Reymann, K.G., Stubbs, M.T., Balbach, J., Gorlach, M., Horn, U., Fandrich, M.
Proc Natl Acad Sci U S A 109, pp. 12503 (2012)
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PubMed ID: 22814377 - X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae.
Lashkov, A.A., Sotnichenko, S.E., Prokofiev, I.I., Gabdulkhakov, A.G., Agapov, I.I., Shtil, A.A., Betzel, C., Mironov, A.S., Mikhailov, A.M.
Acta Crystallogr D Biol Crystallogr 68, pp. 968 (2012)
DOI: 10.1107/s090744491201815x
PubMed ID: 22868762 - The crystal structure of human alpha(1)-microglobulin reveals a potential haem-binding site.
Meining, W., Skerra, A.
Biochem J 445, pp. 175 (2012)
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PubMed ID: 22512701 - Molecular insights into arrhythmogenic right ventricular cardiomyopathy caused by plakophilin-2 missense mutations.
Kirchner, F., Schuetz, A., Boldt, L.H., Martens, K., Dittmar, G., Haverkamp, W., Thierfelder, L., Heinemann, U., Gerull, B.
Circ Cardiovasc Genet 5, pp. 400 (2012)
DOI: 10.1161/circgenetics.111.961854
PubMed ID: 22781308 - The complex structures of isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila suggest a new active site locking mechanism.
Leiros, H.K., Fedoy, A.E., Leiros, I., Steen, I.H.
FEBS Open Bio 2, pp. 159 (2012)
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PubMed ID: 23650595 - Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias.
Klopffleisch, K., Issinger, O.G., Niefind, K.
Acta Crystallogr D Biol Crystallogr 68, pp. 883 (2012)
DOI: 10.1107/s0907444912016587
PubMed ID: 22868753 - Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors.
Brvar, M., Perdih, A., Renko, M., Anderluh, G., Turk, D., Solmajer, T.
J Med Chem 55, pp. 6413 (2012)
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PubMed ID: 22731783 - From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Barandun, L.J., Immekus, F., Kohler, P.C., Tonazzi, S., Wagner, B., Wendelspiess, S., Ritschel, T., Heine, A., Kansy, M., Klebe, G., Diederich, F.
Chemistry 18, pp. 9246 (2012)
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PubMed ID: 22736391 - Structure and activity of the only human RNase T2.
Thorn, A., Steinfeld, R., Ziegenbein, M., Grapp, M., Hsiao, H.H., Urlaub, H., Sheldrick, G.M., Gartner, J., Kratzner, R.
Nucleic Acids Res 40, pp. 8733 (2012)
DOI: 10.1093/nar/gks614
PubMed ID: 22735700 - Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
Biela, A., Sielaff, F., Terwesten, F., Heine, A., Steinmetzer, T., Klebe, G.
J Med Chem 55, pp. 6094 (2012)
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PubMed ID: 22612268 - Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding.
Biela, A., Betz, M., Heine, A., Klebe, G.
ChemMedChem 7, pp. 1423 (2012)
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PubMed ID: 22733601 - Crystallographic characterization of CCG repeats.
Kiliszek, A., Kierzek, R., Krzyzosiak, W.J., Rypniewski, W.
Nucleic Acids Res 40, pp. 8155 (2012)
DOI: 10.1093/nar/gks557
PubMed ID: 22718980 - Crystal Structure of the Yersinia Enterocolitica Type III Secretion Chaperone Sycd in Complex with a Peptide of the Minor Translocator Yopd
Schreiner, M., Niemann, H.H.
BMC Struct Biol 12, pp. 12 (2012)
DOI: 10.1186/1472-6807-12-13
PubMed ID: 22708907 - Significant stabilization of ribonuclease A by additive effects
Arnold, U., Schopfel, M.
FEBS J 279, pp. 2508 (2012)
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PubMed ID: 22594773 - Crystal Structure of Human ADP-ribose Transferase ARTD15/PARP16 Reveals a Novel Putative Regulatory Domain.
Karlberg, T., Thorsell, A.G., Kallas, A., Schuler, H.
J Biol Chem 287, pp. 24077 (2012)
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PubMed ID: 22661712 - Crystal structure of PqqB from Pseudomonas putida at 2.2 A resolution
Metlitzky, M., Puehringer, S., Fisher, S.J.
J Biophys Chem 3, pp. 206 (2012)
DOI: 10.4236/jbpc.2012.32023 - Pan-Pathway Based Interaction Profiling of Fda-Approved Nucleoside and Nucleobase Analogs with Enzymes of the Human Nucleotide Metabolism.
Egeblad, L., Welin, M., Flodin, S., Graslund, S., Wang, L., Balzarini, J., Eriksson, S., Nordlund, P.
PLoS One 7, pp. 37724 (2012)
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PubMed ID: 22662200 - Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
Kofler, S., Asam, C., Eckhard, U., Wallner, M., Ferreira, F., Brandstetter, H.
J Mol Biol 422, pp. 109 (2012)
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PubMed ID: 22634284 - Api88 is a novel antibacterial designer Peptide to treat systemic infections with multidrug-resistant gram-negative pathogens.
Czihal, P., Knappe, D., Fritsche, S., Zahn, M., Berthold, N., Piantavigna, S., Muller, U., Van Dorpe, S., Herth, N., Binas, A., Kohler, G., De Spiegeleer, B., Martin, L.L., Nolte, O., Strater, N., Alber, G., Hoffmann, R.
ACS Chem Biol 7, pp. 1281 (2012)
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PubMed ID: 22594381 - Crystal structure of a supercharged variant of the human enteropeptidase light chain.
Simeonov, P., Zahn, M., Strater, N., Zuchner, T.
Proteins 80, pp. 1907 (2012)
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PubMed ID: 22488687 - Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
Schiebel, J., Chang, A., Lu, H., Baxter, M.V., Tonge, P.J., Kisker, C.
Structure 20, pp. 802 (2012)
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PubMed ID: 22579249 - The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Mayr, F., Schutz, A., Doge, N., Heinemann, U.
Nucleic Acids Res 40, pp. 7492 (2012)
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PubMed ID: 22570413 - Crystal structure and functional characterization of a glucosamine-6-phosphate N-acetyltransferase from Arabidopsis thaliana.
Riegler, H., Herter, T., Grishkovskaya, I., Lude, A., Ryngajllo, M., Bolger, M.E., Essigmann, B., Usadel, B.
Biochem J 443, pp. 427 (2012)
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PubMed ID: 22329777 - Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
Gitto, R., Damiano, F.M., Mader, P., De Luca, L., Ferro, S., Supuran, C.T., Vullo, D., Brynda, J., Rezacova, P., Chimirri, A.
J Med Chem 55, pp. 3891 (2012)
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PubMed ID: 22443141 - Extra-domain B in oncofetal fibronectin structurally promotes fibrillar head-to-tail dimerization of extracellular matrix protein.
Schiefner, A., Gebauer, M., Skerra, A.
J Biol Chem 287, pp. 17578 (2012)
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PubMed ID: 22442152 - Redox-Dependent Complex Formation by an ATP-Dependent Activator of the Corrinoid/Iron-Sulfur Protein.
Hennig, S.E., Jeoung, J.H., Goetzl, S., Dobbek, H.
Proc Natl Acad Sci U S A 109, pp. 5235 (2012)
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PubMed ID: 22431597 - Moonlighting by Different Stressors: Crystal Structure of the Chaperone Species of a 2-Cys Peroxiredoxin.
Saccoccia, F., Di Micco, P., Boumis, G., Brunori, M., Koutris, I., Miele, A.E., Morea, V., Sriratana, P., Williams, D.L., Bellelli, A., Angelucci, F.
Structure 20, pp. 429 (2012)
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PubMed ID: 22405002 - The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Parthier, C., Gorlich, S., Jaenecke, F., Breithaupt, C., Brauer, U., Fandrich, U., Clausnitzer, D., Wehmeier, U.F., Bottcher, C., Scheel, D., Stubbs, M.T.
Angew Chem Int Ed Engl 51, pp. 4046 (2012)
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PubMed ID: 22383337 - Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation.
Myllykoski, M., Raasakka, A., Han, H., Kursula, P.
PLoS One 7, pp. 32336 (2012)
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PubMed ID: 22393399 - Tail morphology controls DNA release in two Salmonella phages with one lipopolysaccharide receptor recognition system.
Andres, D., Roske, Y., Doering, C., Heinemann, U., Seckler, R., Barbirz, S.
Mol Microbiol 83, pp. 1244 (2012)
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PubMed ID: 22364412 - Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
Biela, A., Khayat, M., Tan, H., Kong, J., Heine, A., Hangauer, D., Klebe, G.
J Mol Biol 418, pp. 350 (2012)
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PubMed ID: 22366545 - Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Wahlberg, E., Karlberg, T., Kouznetsova, E., Markova, N., Macchiarulo, A., Thorsell, A.G., Pol, E., Frostell, A., Ekblad, T., Oncu, D., Kull, B., Robertson, G.M., Pellicciari, R., Schuler, H., Weigelt, J.
Nat Biotechnol 30, pp. 283 (2012)
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PubMed ID: 22343925 - Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition
Martinez, J., Nguyen, L.D., Tauberger, E., Hinderlich, S., Reutter, W., Fan, H., Saenger, W., Moniot, S.
J Biol Chem 287, pp. 13656 (2012)
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PubMed ID: 22343627 - Guanidine-Ferroheme Coordination in the Mutant Protein Nitrophorin 4(L130R).
He, C., Fuchs, M.R., Ogata, H., Knipp, M.
Angew Chem Int Ed Engl 51, pp. 4470 (2012)
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PubMed ID: 22334402 - Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
Xiao, Y., Ma, Q., Restle, T., Shang, W., Svergun, D.I., Ponnusamy, R., Sczakiel, G., Hilgenfeld, R.
J Virol 86, pp. 4444 (2012)
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PubMed ID: 22318142 - Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking.
Banaszak, K., Martin-Diaconescu, V., Bellucci, M., Zambelli, B., Rypniewski, W., Maroney, M.J., Ciurli, S.
Biochem J 441, pp. 1017 (2012)
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PubMed ID: 22010876 - The Fe(II) / alpha-ketoglutarate dependent taurine dioxygenases from Pseudomonas putida and Escherichia coli are tetramers
Knauer, S.H., Hartl-Spiegelhauer, O., Schwarzinger, S., Hanzelmann, P., Dobbek, H.
FEBS J 279, pp. 816 (2012)
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PubMed ID: 19903820 - A coleopteran triosephosphate isomerase: X-ray structure and phylogenetic impact of insect sequences.
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Insect Mol Biol 19, pp. 35 (2010)
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PubMed ID: 19853038 - Structure of the heme biosynthetic Pseudomonas aeruginosa porphobilinogen synthase in complex with the antibiotic alaremycin.
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2009
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ChemMedChem 4, pp. 2012 (2009)
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Protein Sci 18, pp. 2480 (2009)
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Biochemistry 48, pp. 12034 (2009)
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PubMed ID: 19883126 - Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
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Structure 17, pp. 1669 (2009)
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PubMed ID: 20004170 - The high-resolution structure of the extracellular domain of human CD69 using a novel polymer
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Acta Crystallogr Sect F Struct Biol Cryst Commun 65, pp. 1258 (2009)
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PLoS One 4, pp. e7515 (2009)
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PubMed ID: 19841750 - Crystal structure of the shutoff and exonuclease protein from the oncogenic Kaposi's sarcoma-associated herpesvirus
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Cancer Res 69, pp. 8025 (2009)
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PubMed ID: 19712680 - Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography
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BMC Struct Biol 9, pp. 56 (2009)
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PubMed ID: 19706171 - Conformational changes within the HLA-A1:MAGE-A1 complex induced by binding of a recombinant antibody fragment with TCR-like specificity
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Protein Sci 18, pp. 37 (2009)
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PubMed ID: 19177349 - A C-terminal phosphatase module conserved in vertebrate CMP-sialic acid synthetases provides a tetramerization interface for the physiologically active enzyme.
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PubMed ID: 19666032 - Structural basis of cyanide inhibition of Ni, Fe-containing carbon monoxide dehydrogenase
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J Am Chem Soc 131, pp. 9922 (2009)
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PubMed ID: 19583208 - An Integrative Approach Combining Noncovalent Mass Spectrometry, Enzyme Kinetics and X-ray Crystallography to Decipher Tgt Protein-Protein and Protein-RNA Interaction
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PubMed ID: 19627989 - Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
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PubMed ID: 19617632 - Crystal Structures of Mycobacterium Tuberculosis Kasa Show Mode of Action within Cell Wall Biosynthesis and its Inhibition by Thiolactomycin
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Structure 17, pp. 1004 (2009)
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PubMed ID: 19604480 - High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding.
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Biochemistry 48, pp. 6166 (2009)
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PubMed ID: 19485419 - Crystal structures of g-type lysozyme from Atlantic cod shed new light on substrate binding and the catalytic mechanism.
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Cell Mol Life Sci 66, pp. 2585 (2009)
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PubMed ID: 19527728 - Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
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Proc Natl Acad Sci U S A 106, pp. 9661 (2009)
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PubMed ID: 19478065 - The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
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PLoS Pathog 5, pp. 428 (2009)
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PubMed ID: 19436709 - Structure and function of primase RepB' encoded by broad-host-range plasmid RSF1010 that replicates exclusively in leading-strand mode
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Proc Natl Acad Sci U S A 106, pp. 7810 (2009)
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PubMed ID: 19416864 - Molecular Basis of Antimony Treatment in Leishmaniasis.
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J Med Chem 52, pp. 2603 (2009)
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PubMed ID: 19317451 - Crystal Structure of the Nuclear Export Receptor CRM1 in Complex with Snurportin1 and RanGTP.
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Science 324, pp. 1087 (2009)
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PubMed ID: 19389996 - Structural basis for m7G-cap hypermethylation of small nuclear, small nucleolar and telomerase RNA by the dimethyltransferase TGS1.
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Nucleic Acids Res 37, pp. 3865 (2009)
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PubMed ID: 19386620 - Crystal structure of the beta beta alpha-Me type II restriction endonuclease Hpy99I with target DNA.
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Nucleic Acids Res 37, pp. 3799 (2009)
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J Am Chem Soc 131, pp. 3565 (2009)
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Chembiochem 10, pp. 716 (2009)
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PLoS One 4, pp. E4656 (2009)
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Acta Crystallogr D Biol Crystallogr 65, pp. 220 (2009)
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EMBO J 28, pp. 937 (2009)
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Nucleic Acids Res 37, pp. 1915 (2009)
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PubMed ID: 19190096 - Structure and Function of the Abasic Site Specificity Pocket of an Ap Endonuclease from Archaeoglobus Fulgidus.
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DNA Repair (Amst) 8, pp. 219 (2009)
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EMBO J 28, pp. 69 (2009)
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PubMed ID: 19057509 - Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S.
Sun, Q., Collins, R., Huang, S., Holmberg-Schiavone, L., Anand, G.S., Tan, C.H., van-den-Berg, S., Deng, L.W., Moore, P.K., Karlberg, T., Sivaraman, J.
J Biol Chem 284, pp. 3076 (2009)
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PubMed ID: 19019829 - Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis.
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PubMed ID: 19004827 - The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase.
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Biochim Biophys Acta 1794, pp. 297 (2009)
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Gurmu, D., Lu, J., Johnson, K.A., Nordlund, P., Holmgren, A., Erlandsen, H.
Proteins 74, pp. 18 (2008)
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PubMed ID: 18561187 - The Crystal Structure of Human Cleavage and Polyadenylation Specific Factor-5 Reveals a Dimeric Nudix Protein with a Conserved Catalytic Site.
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Proteins 73, pp. 1047 (2008)
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Proc Natl Acad Sci U S A 105, pp. 17390 (2008)
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Nature 455, pp. 497 (2008)
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PubMed ID: 18818650 - The 1.8-A crystal structure of alpha1-acid glycoprotein (Orosomucoid) solved by UV RIP reveals the broad drug-binding activity of this human plasma lipocalin.
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PubMed ID: 18823996 - Biophysical Characterization of Refolded Drosophila Spatzle, a Cystine Knot Protein, Reveals Distinct Properties of Three Isoforms
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PubMed ID: 18790733 - Crystal structure of DltA. Implications for the reaction mechanism of non-ribosomal peptide synthetase adenylation domains
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J Biol Chem 283, pp. 32484 (2008)
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PubMed ID: 18784082 - Glutathione Reductase and Thioredoxin Reductase at the Crossroad: The Structure of Schistosoma Mansoni Thioredoxin Glutathione Reductase
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Proteins 72, pp. 936 (2008)
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PubMed ID: 18300227 - Crystal Structure of Escherichia Coli Phage Hk620 Tailspike: Podoviral Tailspike Endoglycosidase Modules are Evolutionarily Related.
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Mol Microbiol 69, pp. 303 (2008)
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PubMed ID: 18547389 - Structural and Functional Characterization of Human Iba Proteins.
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FEBS J 275, pp. 4627 (2008)
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Ilari, A., Bonamore, A., Franceschini, S., Fiorillo, A., Boffi, A., Colotti, G.
Proteins 71, pp. 2065 (2008)
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PubMed ID: 18694759 - Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
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PubMed ID: 18692068 - Crystal structures of human saposins C and d: implications for lipid recognition and membrane interactions.
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Structure 16, pp. 809 (2008)
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PubMed ID: 18462685 - An Intersubunit Active Site between Supercoiled Parallel Beta Helices in the Trimeric Tailspike Endorhamnosidase of Shigella Flexneri Phage Sf6.
Muller, J.J., Barbirz, S., Heinle, K., Freiberg, A., Seckler, R., Heinemann, U.
Structure 16, pp. 766 (2008)
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PubMed ID: 18462681 - Demyelinating myelin oligodendrocyte glycoprotein-specific autoantibody response is focused on one dominant conformational epitope region in rodents
Breithaupt, C., Schafer, B., Pellkofer, H., Huber, R., Linington, C., Jacob, U.
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Nature 454, pp. 183 (2008)
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PubMed ID: 18586267 - Crystal structure analysis reveals how the Chordin family member crossveinless 2 blocks BMP-2 receptor binding
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Dev Cell 14, pp. 739 (2008)
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PubMed ID: 18477456 - Streptococcus pyogenes pSM19035 requires dynamic assembly of ATP-bound ParA and ParB on parS DNA during plasmid segregation.
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Nucleic Acids Res 36, pp. 3676 (2008)
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Proc Natl Acad Sci U S A 105, pp. 6882 (2008)
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PubMed ID: 18453630 - A Putative Alpha-Helical Porin from Corynebacterium Glutamicum.
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PubMed ID: 18462756 - Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily.
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PubMed ID: 18448118 - Zinc binding catalytic domain of human tankyrase 1.
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PubMed ID: 18436240 - An X-Ray Diffraction and X-Ray Absorption Spectroscopy Joint Study of Neuroglobin.
Arcovito, A., Moschetti, T., D'Angelo, P., Mancini, G., Vallone, B., Brunori, M., Della Longa, S.
Arch Biochem Biophys 475, pp. 7 (2008)
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PubMed ID: 18406335 - Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
Blum, A., Bottcher, J., Heine, A., Klebe, G., Diederich, W.E.
J Med Chem 51, pp. 2078 (2008)
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PubMed ID: 18348517 - An Oxidized Tryptophan Facilitates Copper Binding in Methylococcus Capsulatus-Secreted Protein Mope.
Helland, R., Fjellbirkeland, A., Karlsen, O.A., Ve, T., Lillehaug, J.R., Jensen, H.B.
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PubMed ID: 18348978 - The Crystal Structure of the Human Toll-Like Receptor 10 Cytoplasmic Domain Reveals a Putative Signaling Dimer.
Nyman, T., Stenmark, P., Flodin, S., Johansson, I., Hammarstrom, M., Nordlund, P.
J Biol Chem 283, pp. 11861 (2008)
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PubMed ID: 18332149 - Structural insights into an equilibrium folding intermediate of an archaeal ankyrin repeat protein
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Proc Natl Acad Sci U S A 105, pp. 3779 (2008)
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PubMed ID: 18305166 - Regulation of synaptic inhibition by phospho-dependent binding of the AP2 complex to a YECL motif in the GABAA receptor gamma2 subunit.
Kittler, J.T., Chen, G., Kukhtina, V., Vahedi-Faridi, A., Gu, Z., Tretter, V., Smith, K.R., McAinsh, K., Arancibia-Carcamo, I.L., Saenger, W., Haucke, V., Yan, Z., Moss, S.J.
Proc Natl Acad Sci U S A 105, pp. 3616 (2008)
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PubMed ID: 18305175 - Structure of human argininosuccinate synthetase.
Karlberg, T., Collins, R., van den Berg, S., Flores, A., Hammarstrom, M., Hogbom, M., Holmberg Schiavone, L., Uppenberg, J.
Acta Crystallogr D Biol Crystallogr 64, pp. 279 (2008)
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PubMed ID: 18323623 - Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
Beich-Frandsen, M., Pickering, D.S., Mirza, O., Johansen, T.N., Greenwood, J., Vestergaard, B., Schousboe, A., Gajhede, M., Liljefors, T., Kastrup, J.S.
J Med Chem 51, pp. 1459 (2008)
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PubMed ID: 18269227 - Designed Protein-Protein Association.
Grueninger, D., Treiber, N., Ziegler, M.O.P., Koetter, J.W.A., Schulze, M.-S., Schulz, G.E.
Science 319, pp. 206 (2008)
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PubMed ID: 18187656 - Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface
Hillig, R.C., Urlinger, S., Fanghanel, J., Brocks, B., Haenel, C., Stark, Y., Sulzle, D., Svergun, D.I., Baesler, S., Malawski, G., Moosmayer, D., Menrad, A., Schirner, M., Licha, K.
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PubMed ID: 18241888 - Conformational Changes and Reaction of Clostridial Glycosylating Toxins.
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PubMed ID: 18325534 - Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome.
Kotzsch, A., Nickel, J., Seher, A., Heinecke, K., van Geersdaele, L., Herrmann, T., Sebald, W., Mueller, T.D.
J Biol Chem 283, pp. 5876 (2008)
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PubMed ID: 18160401 - The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site.
Chatwell, L., Holla, A., Kaufer, B.B., Skerra, A.
Mol Immunol 45, pp. 1981 (2008)
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PubMed ID: 18061677 - The Crystal Structure of Progesterone 5{Beta}-Reductase from Digitalis Lanata Defines a Novel Class of Short Chain Dehydrogenases/Reductases.
Thorn, A., Egerer-Sieber, C., Jaeger, C.M., Herl, V., Mueller-Uri, F., Kreis, W., Muller, Y.A.
J Biol Chem 283, pp. 17260 (2008)
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PubMed ID: 18032383 - High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp.
Kursula, P., Kursula, I., Massimi, M., Song, Y.H., Downer, J., Stanley, W.A., Witke, W., Wilmanns, M.
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PubMed ID: 18001770 - Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2
Vahedi-Faridi, A., Eckey, V., Scheffel, F., Alings, C., Landmesser, H., Schneider, E., Saenger, W.
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2007
- Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Di Fenza, A., Heine, A., Koert, U., Klebe, G.
ChemMedChem 2, pp. 297 (2007)
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PubMed ID: 17191291 - KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding
Gerlach, C., Munzel, M., Baum, B., Gerber, H.-D., Craan, T., Diederich, W.E., Klebe, G.
Angew Chem Int Ed Engl 46, pp. 9105 (2007)
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PubMed ID: 17955562 - Structural basis for RanGTP independent entry of spliceosomal U snRNPs into the nucleus.
Wohlwend, D., Strasser, A., Dickmanns, A., Ficner, R.
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PubMed ID: 18028944 - Ionotropic Glutamate-Like Receptor {Delta}2 Binds D-Serine and Glycine.
Naur, P., Hansen, K.B., Kristensen, A.S., Dravid, S.M., Pickering, D.S., Olsen, L., Vestergaard, B., Egebjerg, J., Gajhede, M., Traynelis, S.F., Kastrup, J.S.
Proc Natl Acad Sci U S A 104, pp. 14116 (2007)
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PubMed ID: 17715062 - Optimization of the gbeta1 domain by computational design and by in vitro evolution: structural and energetic basis of stabilization.
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PubMed ID: 17868696 - Corticosteroid-Binding Globulin: Structural Basis for Steroid Transport and Proteinase-Triggered Release
Klieber, M.A., Underhill, C., Hammond, G.L., Muller, Y.A.
J Biol Chem 282, pp. 29594 (2007)
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PubMed ID: 17644521 - Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa.
Hagelueken, G., Wiehlmann, L., Adams, T.M., Kolmar, H., Heinz, D.W., Tuemmler, B., Schubert, W.-D.
Proc Natl Acad Sci U S A 104, pp. 12276 (2007)
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PubMed ID: 17636129 - Structural basis for catalytic activity and enzyme polymerization of phospholipid hydroperoxide glutathione peroxidase-4 (GPx4).
Scheerer, P., Borchert, A., Krauss, N., Wessner, H., Gerth, C., Hohne, W., Kuhn, H.
Biochemistry 46, pp. 9041 (2007)
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PubMed ID: 17630701 - Affilin-Novel Binding Molecules Based on Human Gamma-B-Crystallin, an All Beta-Sheet Protein.
Ebersbach, H., Fiedler, E., Scheuermann, T., Fiedler, M., Stubbs, M.T., Reimann, C., Proetzel, G., Rudolph, R., Fiedler, U.
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PubMed ID: 17628592 - Partial agonism and antagonism of the ionotropic glutamate receptor iGLuR5: structures of the ligand-binding core in complex with domoic acid and 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid.
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J Biol Chem 282, pp. 25726 (2007)
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PubMed ID: 17581823 - Structure and Action of the N-Oxygenase Aurf from Streptomyces Thioluteus.
Zocher, G.E., Winkler, R., Hertweck, C., Schulz, G.E.
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PubMed ID: 17765264 - Crystal Structure and Biochemical Properties of the d-Arabinose Dehydrogenase from Sulfolobus solfataricus
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PubMed ID: 17610898 - Extending the host range of Listeria monocytogenes by rational protein design.
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Cell 129, pp. 891 (2007)
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PubMed ID: 17540170 - The crystal structure of the human (S100A8/S100A9)2 heterotetramer, calprotectin, illustrates how conformational changes of interacting alpha-helices can determine specific association of two EF-hand proteins
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PubMed ID: 17553524 - Optimized variants of the cold shock protein from in vitro selection: structural basis of their high thermostability.
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PubMed ID: 17481655 - Structural Basis for Enzymatic Excision of N1-Methyladenine and N3-Methylcytosine from DNA
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EMBO J 26, pp. 2206 (2007)
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PubMed ID: 17396151 - How an agonist peptide mimics the antibiotic tetracycline to induce Tet-repressor
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PubMed ID: 17374541 - Common mode of DNA binding to cold shock domains. Crystal structure of hexathymidine bound to the domain-swapped form of a major cold shock protein from Bacillus caldolyticus.
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FEBS J 274, pp. 1265 (2007)
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PubMed ID: 17266726 - Structure and Action of a Cc Bond Cleaving Alpha/Beta-Hydrolase Involved in Nicotine Degration.
Schleberger, C., Sachelaru, P., Brandsch, R., Schulz, G.E.
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PubMed ID: 17275835 - Crystal structure of the anabaena sensory rhodopsin transducer.
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PubMed ID: 17289074 - The Structure of a Bacterial L-Amino Acid Oxidase from Rhodococcus Opacus Gives New Evidence for the Hydride Mechanism for Dehydrogenation
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PubMed ID: 17234209 - Crystal Structure of Human Inosine Triphosphatase: Substrate Binding and Implication of the Inosine Triphosphatase Deficiency Mutation P32T.
Stenmark, P., Kursula, P., Flodin, S., Graslund, S., Landry, R., Nordlund, P., Schuler, H.
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PubMed ID: 17138556 - Crystal structure analysis and solution studies of human Lck-SH3; zinc-induced homodimerization competes with the binding of proline-rich motifs.
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2006
- Recognition of a Functional Peroxisome Type 1 Target by the Dynamic Import Receptor Pex5P.
Stanley, W.A., Filipp, F.V., Kursula, P., Schuller, N., Erdmann, R., Schliebs, W., Sattler, M., Wilmanns, M.
Mol Cell 24, pp. 653 (2006)
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PubMed ID: 17157249 - Binding Structure of the Leucine Aminopeptidase Inhibitor Microginin Fr1.
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FEBS Lett 580, pp. 6943 (2006)
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PubMed ID: 17157838 - Structures of the Hydrolase Domain of Human 10-Formyltetrahydrofolate Dehydrogenase and its Complex with a Substrate Analogue.
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Acta Crystallogr D Biol Crystallogr 62, pp. 1294 (2006)
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PubMed ID: 17057331 - The Crystal Structure of Arabidopsis Thaliana Rac7/Rop9: The First Ras Superfamily Gtpase from the Plant Kingdom.
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PubMed ID: 17027031 - The crystal structure of the bacteriophage PSA endolysin reveals a unique fold responsible for specific recognition of Listeria cell walls
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PubMed ID: 17010991 - Structure of the nuclear exosome component Rrp6p reveals an interplay between the active site and the HRDC domain.
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PubMed ID: 16882719 - Function and Structure of the Molybdenum Cofactor Carrier Protein from Chlamydomonas Reinhardtii.
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PubMed ID: 16873364 - Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
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Biochemistry 45, pp. 8243 (2006)
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PubMed ID: 16819823 - The structure of bovine complement component 3 reveals the basis for thioester function.
Fredslund, F., Jenner, L., Husted, L.B., Nyborg, J., Andersen, G.R., Sottrup-Jensen, L.
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PubMed ID: 16831446 - Structure of the Bet3-Tpc6B Core of Trapp: Two Tpc6 Paralogs Form Trimeric Complexes with Bet3 and Mum2.
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PubMed ID: 16828797 - T-rich DNA single strands bind to a preformed site on the bacterial cold shock protein Bs-CspB.
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EMBO J 25, pp. 2305 (2006)
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PubMed ID: 16710301 - Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
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Acta Crystallogr D Biol Crystallogr 62, pp. 589 (2006)
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Eswaran, J., von Kries, J.P., Marsden, B., Longman, E., Debreczeni, J.E., Ugochukwu, E., Turnbull, A., Lee, W.H., Knapp, S., Barr, A.J.
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PubMed ID: 16441242 - Structure and Reaction Mechanism of L-Rhamnulose Kinase from Escherichia Coli.
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Frese, S., Schubert, W.-D., Findeis, A.C., Marquardt, T., Roske, Y.S., Stradal, T.E.B., Heinz, D.W.
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PubMed ID: 16636066 - Serendipitous Sad Phasing of an Echinomycin-(Acgtacgt)2 Bisintercalation Complex.
Cuesta-Seijo, J.A., Weiss, M.S., Sheldrick, G.M.
Acta Crystallogr D Biol Crystallogr 62, pp. 417 (2006)
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PubMed ID: 16552143 - Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription.
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Nucleic Acids Res 34, pp. 1450 (2006)
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PubMed ID: 16528102 - Crystal structure of Homo sapiens PTD012 reveals a zinc-containing hydrolase fold
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Protein Sci 15, pp. 914 (2006)
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PubMed ID: 16522806 - Structure of the novel alpha-amylase AmyC from Thermotoga maritima.
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Acta Crystallogr D Biol Crystallogr 62, pp. 262 (2006)
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PubMed ID: 16510973 - Natural Products as Starting Materials for Development of Second-Generation Serca Inhibitors Targeted Towards Prostate Cancer Cells
Soehoel, H., Jensen, A.L., Moller, J.V., Nissen, P., Denmeade, S.R., Isaacs, J.T., Olsen, C.E., Christensen, S.B.
Bioorg Med Chem 14, pp. 2810 (2006)
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PubMed ID: 16412648 - High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.
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2005
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Kummel, D., Mueller, J.J., Roske, Y., Misselwitz, R., Bussow, K., Heinemann, U.
EMBO Rep 6, pp. 787 (2005)
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PubMed ID: 16025134 - X-ray structure of engineered human Aortic Preferentially Expressed Protein-1 (APEG-1)
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BMC Struct Biol 5, pp. 21 (2005)
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PubMed ID: 16354304 - Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
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Structure 13, pp. 1081 (2005)
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Protein Sci 14, pp. 1993 (2005)
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PubMed ID: 16046625 - Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Dong, C., Flecks, S., Unversucht, S., Haupt, C., van Pee, K.H., Naismith, J.H.
Science 309, pp. 2216 (2005)
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PubMed ID: 16195462 - Structure of the unphosphorylated STAT5a dimer
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J Biol Chem 280, pp. 40782 (2005)
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PubMed ID: 16192273 - Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans.
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PubMed ID: 16121195 - Exotoxin A-eEF2 complex structure indicates ADP ribosylation by ribosome mimicry.
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Nature 436, pp. 979 (2005)
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PubMed ID: 16107839 - Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Kraetzner, R., Debreczeni, J.E., Pape, T., Schneider, T.R., Wentzel, A., Kolmar, H., Scheldrick, G.M., Uson, I.
Acta Crystallogr D Biol Crystallogr 61, pp. 1255 (2005)
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PubMed ID: 16131759 - Structure of the lipopeptide antibiotic tsushimycin.
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Acta Crystallogr D Biol Crystallogr 61, pp. 1160 (2005)
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PubMed ID: 16041082 - De novo calcium/sulfur SAD phasing of the human formylglycine-generating enzyme using in-house data.
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Acta Crystallogr D Biol Crystallogr 61, pp. 1057 (2005)
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PubMed ID: 16041070 - High-resolution structure of HLA-A*1101 in complex with SARS nucleocapsid peptide.
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PubMed ID: 16041067 - The Mutation G145S in Prfa, a Key Virulence Regulator of Listeria Monocytogenes, Increases DNA-Binding Affinity by Stabilizing the Hth Motif
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Mol Microbiol 56, pp. 433 (2005)
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PubMed ID: 15813735 - Structural basis for m(3)G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1
Strasser, A., Dickmanns, A., Luehrmann, R., Ficner, R.
EMBO J 24, pp. 2235 (2005)
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PubMed ID: 15920472 - An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors
Specker, E., Boettcher, J., Lilie, H., Heine, A., Schoop, A., Muller, G., Griebenow, N., Klebe, G.
Angew Chem Int Ed Engl 44, pp. 3140 (2005)
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PubMed ID: 15822136 - High Resolution Crystal Structures of Human Rab4A in its Active and Inactive Conformations.
Huber, S.K., Scheidig, A.J.
FEBS Lett 579, pp. 2821 (2005)
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PubMed ID: 15907487 - High-resolution crystal structure of an avidin-related protein: insight into high-affinity biotin binding and protein stability.
Eisenberg-Domovich, Y., Hytonen, V.P., Wilchek, M., Bayer, E.A., Kulomaa, M.S., Livnah, O.
Acta Crystallogr D Biol Crystallogr 61, pp. 528 (2005)
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PubMed ID: 15858262 - Conjugated Bile Acid Hydrolase is a Tetrameric N-Terminal Thiol Hydrolase with Specific Recognition of its Cholyl But not of its Tauryl Product
Rossocha, M., Schultz-Heienbrok, R., Von Moeller, H., Coleman, J.P., Saenger, W.
Biochemistry 44, pp. 5739 (2005)
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PubMed ID: 15823032 - Structures of Complexes between Echinomycin and Duplex DNA.
Cuesta-Seijo, J.A., Sheldrick, G.M.
Acta Crystallogr D Biol Crystallogr 61, pp. 442 (2005)
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PubMed ID: 15805599 - The Antiviral Antibiotic Feglymycin: First Direct Methods Solution of a 1000Plus Equal-Atom Structure
Bunkoczi, G., Vertesy, L., Sheldrick, G.M.
Angew Chem Int Ed Engl 44, pp. 1340 (2005)
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PubMed ID: 15674989 - Structure of palmitoylated BET3: insights into TRAPP complex assembly and membrane localization
Turnbull, A.P., Prinz, B., Holz, C., Schultchen, J., Lang, C.
EMBO J 24, pp. 875 (2005)
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PubMed ID: 15692564 - Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide
Hulsmeyer, M., Welfle, K., Pohlmann, T., Misselwitz, R., Alexiev, U., Welfle, H., Saenger, W., Uchanska-Ziegler, B., Ziegler, A.
J Mol Biol 346, pp. 1367 (2005)
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PubMed ID: 15713487 - The crystal structure of archaeal nascent polypeptide-associated complex (NAC) reveals a unique fold and the presence of a UBA domain
Spreter, T., Pech, M., Beatrix, B.
J Biol Chem 280, pp. 15849 (2005)
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Brouns, S.J.J., Wu, H., Akerboom, J., Turnbull, A.P., de Vos, W.M., van der Oost, J.
J Biol Chem 280, pp. 11422 (2005)
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PubMed ID: 15640151 - Crystal Structure of the Polysialic Acid-Degrading Endosialidase of Bacteriophage K1F
Stummeyer, K., Dickmanns, A., Muehlenhoff, M., Gerardy-Schahn, R., Ficner, R.
Nat Struct Mol Biol 12, pp. 90 (2005)
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PubMed ID: 15608653 - Succinate Complex Crystal Structures of the Alpha-Ketoglutarate-Dependent Dioxygenase Atsk: Steric Aspects of Enzyme Self-Hydroxylation
Mueller, I., Stueckl, A.C., Wakeley, J., Kertesz, M., Uson, I.
J Biol Chem 280, pp. 5716 (2005)
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PubMed ID: 15542595 - Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes
Fiorillo, M.T., Ruckert, C., Hulsmeyer, M., Sorrentino, R., Saenger, W., Ziegler, A., Uchanska-Ziegler, B.
J Biol Chem 280, pp. 2962 (2005)
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2004
- X-ray structure of fumarylacetoacetate hydrolase family member Homo sapiens FLJ36880.
Manjasetty, B.A., Niesen, F.H., Delbruck, H., Gotz, F., Sievert, V., Bussow, K., Behlke, J., Heinemann, U.
Biol Chem 385, pp. 935 (2004)
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PubMed ID: 15551868 - Crystal Structure of the 65-Kilodalton Heat Shock Protein, Chaperonin 60.2, of Mycobacterium tuberculosis
Qamra, R., Mande, S.C.
J Bacteriol 186, pp. 8105 (2004)
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PubMed ID: 15547284 - Crystal Structure of CaiB, a Type-III CoA Transferase in Carnitine Metabolism
Stenmark, P., Gurmu, D., Nordlund, P.
Biochemistry 43, pp. 13996 (2004)
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PubMed ID: 15518548 - Structural Insights into the Neuroprotective-acting Carbonyl Reductase Sniffer of Drosophila melanogaster.
Sgraja, T., Ulschmid, J., Becker, K., Schneuwly, S., Klebe, G., Reuter, K., Heine, A.
J Mol Biol 342, pp. 1613 (2004)
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PubMed ID: 15364585 - Anabaena sensory rhodopsin: a photochromic color sensor at 2.0 A.
Vogeley, L., Sineshchekov, O.A., Trivedi, V.D., Sasaki, J., Spudich, J.L., Luecke, H.
Science 306, pp. 1390 (2004)
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PubMed ID: 15459346 - High-resolution crystal structures of Caldicellulosiruptor strain Rt8B.4 carbohydrate-binding module CBM27-1 and its complex with mannohexaose.
Roske, Y., Sunna, A., Pfeil, W., Heinemann, U.
J Mol Biol 340, pp. 543 (2004)
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PubMed ID: 15210353 - Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface.
Weihofen, W.A., Liu, J., Reutter, W., Saenger, W., Fan, H.
J Biol Chem 279, pp. 43330 (2004)
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PubMed ID: 15213224 - Phosphoryl transfer and calcium ion occlusion in the calcium pump.
Sorensen, T.L., Moller, J.V., Nissen, P.
Science 304, pp. 1672 (2004)
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PubMed ID: 15192230 - Sequence-specific DNA binding determined by contacts outside the helix-turn-helix motif of the ParB homolog KorB.
Khare, D., Ziegelin, G., Lanka, E., Heinemann, U.
Nat Struct Mol Biol 11, pp. 656 (2004)
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PubMed ID: 15170177 - X-ray structure of tRNA pseudouridine synthase TruD reveals an inserted domain with a novel fold
Ericsson, U.B., Nordlund, P., Hallberg, B.M.
FEBS Lett 565, pp. 59 (2004)
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PubMed ID: 15135053 - X-ray structure of human gankyrin, the product of a gene linked to hepatocellular carcinoma.
Manjasetty, B.A., Quedenau, C., Sievert, V., Buessow, K., Niesen, F., Delbrueck, H., Heinemann, U.
Proteins 55, pp. 214 (2004)
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PubMed ID: 14997555 - Structural Basis of Redox-coupled Protein Substrate Selection by the Cytochrome c Biosynthesis Protein ResA.
Crow, A., Acheson, R.M., Le Brun, N.E., Oubrie, A.
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PubMed ID: 15047692 - Crystal structure of Homo sapiens protein hp14.5.
Manjasetty, B.A., Delbruck, H., Pham, D.T., Mueller, U., Fieber-Erdmann, M., Scheich, C., Sievert, V., Bussow, K., Niesen, F.H., Weihofen, W., Loll, B., Saenger, W., Heinemann, U., Neisen, F.H.
Proteins 54, pp. 797 (2004)
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PubMed ID: 14997576 - Crystal structure of sucrose phosphorylase from Bifidobacterium adolescentis.
Sprogoe, D., van den Broek, L.A., Mirza, O., Kastrup, J.S., Voragen, A.G., Gajhede, M., Skov, L.K.
Biochemistry 43, pp. 1156 (2004)
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PubMed ID: 14756551 - Dual, HLA-B27 subtype-dependent conformation of a self-peptide.
Hulsmeyer, M., Fiorillo, M.T., Bettosini, F., Sorrentino, R., Saenger, W., Ziegler, A., Uchanska-Ziegler, B.
J Exp Med 199, pp. 271 (2004)
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PubMed ID: 14734527 - Latent LytM at 1.3A resolution.
Odintsov, S.G., Sabala, I., Marcyjaniak, M., Bochtler, M.
J Mol Biol 335, pp. 775 (2004)
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PubMed ID: 14687573
2003
- Crystal Structure of Coproporphyrinogen III Oxidase Reveals Cofactor Geometry of Radical Sam Enzymes
Layer, G., Moser, J., Heinz, D.W., Jahn, D., Schubert, W.-D.
EMBO J 22, pp. 6214 (2003)
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PubMed ID: 14633981 - Structure of DNA helicase RepA in complex with sulfate at 1.95 A resolution implicates structural changes to an "open" form.
Xu, H., Strater, N., Schroder, W., Bottcher, C., Ludwig, K., Saenger, W.
Acta Crystallogr D Biol Crystallogr 59, pp. 815 (2003)
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