MX-14-1

Macromolecular Crystallography 14.1

Publikationen

2024

Roske, Y.; Cappel, C.; Cremer, N.; Hoffmann, P.; Koudelka, T.; Tholey, A.; Heinemann, U.; Daumke, O.; Damme, M.: Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation. , Nucleic Acids Research 52 (2024), p. 370-384
doi: 10.1093/nar/gkad1114
Data-doi: 10.5281/zenodo.10047708

2023

Zink, Christoph: Biochemische und strukturbiologische Charakterisierung der Inhibition der Pyridoxal 5´-Phosphat Phosphatase durch 7,8-Dihydroxyflavon. , Uni Würzburg, 2023

Barthel, Tatjana: Crystallographic fragment screening - improvement of workflow, tools and procedures, and application for the development of enzyme and protein-protein interaction modulators. , FU Berlin, 2023

Job, Laura: Konstruktion und gentechnische Herstellung katalytischer Bioscavenger zur Detoxifizierung phosphororganischer Verbindungen. , TU München, 2023

Dimos, Nicole: Structural and biochemical characterization of biotechnologically relevant enzymes. , FU Berlin, 2023

Garbers, Tim Benedict: Structure-based Search for novel c-di-AMP Synthase Inhibiting Fragments. , Uni Göttingen, 2023

Mut, Jürgen: Synthese komplexer funktionaler Mono- und Oligosaccharid-Bausteine zur Untersuchung und Modifikation von Membranoberflächen humaner mesenchymaler Stromazellen. , Uni Würzburg, 2023

Truongvan, Ngoc: Understanding the dual specificity of UBA6. , Uni Würzburg, 2023

Foor, S.D.; Brangulis, K.; Shakya, A.K.; Rana, V.S.; Bista, S.; Kitsou, C.; Ronzetti, M.; Alreja, A.B.; Linden, S.B.; Altieri, A.S.; Baljinnyam, B.; Akopjana, I.; Nelson, D.C.; Simeonov, A.; Herzberg, O.; Caimano, M.J.; Pal, U.: A unique borrelial protein facilitates microbial immune evasion. , mBio 14 (2023), p. e02135-23/1-24
doi: 10.1128/mbio.02135-23

Busa, M.; Matouskova, Z.; Bartosova-Sojkova, P.; Pachl, P.; Rezacova, P.; Eichenberger, R.M.; Deplazes, P.; Horn, M.; Stefanic, S.; Mares, M.: An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily. , Journal of Biological Chemistry 299 (2023), p. 102970/1-14
doi: 10.1016/j.jbc.2023.102970

Borek, B.; Nowicka, J.; Gzik, A.; Dziegielewski, M.; Jedrzejczak, K.; Brzezinska, J.; Grzybowski, M.; Stanczak, P.; Pomper, P.; Zagozdzon, A.; Rejczak, T.; Matyszewski, K.; Golebiowski, A.; Olczak, J.; Lisiecki, K.; Tyszkiewicz, M.; Kania, M.; Piasecka, S.; Cabaj, A.; Dera, P.; Mulewski, K.; Chrzanowski, J.; Kusmirek, D.; Sobolewska, E.; Magdycz, M.; Mucha, L.; Masnyk, M.; Golab, J.; Nowotny, M.; Nowak, E.; Napiorkowska-Gromadzka, A.; Pikul, S.; Jazwiec, R.; Dzwonek, K.; Dobrzanski, P.; Meyring, M.; Skowronek, K.; Iwanowski, P.; Zaslona, Z.; Blaszczyk, R.: Arginase 1/2 inhibitor OATD-02: from discovery to first-in-man setup in cancer immunotherapy. , Molecular Cancer Therapeutics 22 (2023), p. 807–817
doi: 10.1158/1535-7163.mct-22-0721

Minniberger, S.; Abdolvand, S.; Braunbeck, S.; Sun, H.; Plested, A.J.R.: Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. , Journal of Molecular Biology : jmb 435 (2023), p. 167970/1-16
doi: 10.1016/j.jmb.2023.167970

Ivanova, J.N.; Nocentini, A.; Ta Rs, K.; Leita Ns, J.N.; Dvinskis, E.; Kazaks, A.; Domraceva, I.; Supuran, C.T.; Zalubovskis, R.: Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect. , Journal of Medicinal Chemistry 66 (2023), p. 5703-5718
doi: 10.1021/acs.jmedchem.3c00007

Fanfrlík, J.; Brynda, J.; Kugler, M.; Lepsik, M.; Pospísilová, K.; Holub, J.; Hnyk, D.; Nekvinda, J.; Grüner, B.; Rezácová, P.: B–H⋯π and C–H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. , Physical Chemistry Chemical Physics 25 (2023), p. 1728-1733
doi: 10.1039/d2cp04673c

Junghare, M.; Manavalan, T.; Fredriksen, L.; Leiros, I.; Altermark, B.; Eijsink, V.G.H.; Vaaje-Kolstad, G.: Biochemical and structural characterisation of a family GH5 cellulase from endosymbiont of shipworm P. megotara. , Biotechnology for Biofuels and Bioproducts 16 (2023), p. 61/1-15
doi: 10.1186/s13068-023-02307-1

Navarrete, K.M.; Bumba, L.; Prudnikova, T.; Malcova, I.; Allsop, T.R.; Sebo, P.; Kamanova, J.: BopN is a Gatekeeper of the Bordetella Type III Secretion System. , Microbiology Spectrum 11 (2023)
doi: 10.1128/spectrum.04112-22

Kovalova, M.; Havlicek, L.; Djukic, S.; Skerlova, J.; Perina, M.; Pospisil, T.; Reznickova, E.; Rezacova, P.; Jorda, R.; Krystof, V.: Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7. , Biomedicine & Pharmacotherapy 161 (2023), p. 114492/1-9
doi: 10.1016/j.biopha.2023.114492

Vester, K.; Metz, A.; Huber, S.; Loll, B.; Wahl, M.C.: Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. , Acta Crystallographica Section D - Structural biology 79 (2023), p. 304-317
doi: 10.1107/s2059798323001778

Kascakova, B.; Kotal, J.; Havlickova, P.; Vopatkova, V.; Prudnikova, T.; Grinkevich, P.; Kuty, M.; Chmelar, J.; Kuta Smatanova, I.: Conformational transition of the Ixodes ricinus salivary serpin Iripin-4. , Acta Crystallographica Section D - Structural biology 79 (2023), p. 409-419
doi: 10.1107/s2059798323002322

Wator, E.; Wilk, P.; Biela, A.; Rawski, M.; Zak, K.M.; Steinchen, W.; Bange, G.; Glatt, S.; Grudnik, P.: Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders. , Nature Communications 14 (2023), p. 1698/1-14
doi: 10.1038/s41467-023-37305-2

Gardonyi, M.; Hasewinkel, C.; Wallbaum, J.; Wollenhaupt, J.; Weiss, M.S.; Klebe, G.; Reuter, K.; Heine, A.: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC. , ACS Omega 8 (2023), p. 46051-46065
doi: 10.1021/acsomega.3c07058

Purder, P.L.; Meyners, C.; Sugiarto, W.O.; Kolos, J.; Lohr, F.; Gebel, J.; Nehls, T.; Dotsch, V.; Lermyte, F.; Hausch, F.: Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. , JACS Au : an open access journal of the American Chemical Society 3 (2023), p. 2478-2486
doi: 10.1021/jacsau.3c00241

Skacel, J.; Djukic, S.; Baszczynski, O.; Kalcic, F.; Bilek, T.; Chalupsky, K.; Kozak, J.; Dvorakova, A.; Tloust'ova, E.; Kral'ova, Z.; Smidkova, M.; Voldrich, J.; Rumlova, M.; Pachl, P.; Brynda, J.; Vuckova, T.; Fabry, M.; Snasel, J.; Pichova, I.; Rezacova, P.; Mertlikova-Kaiserova, H.; Janeba, Z.: Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. , Journal of Medicinal Chemistry 66 (2023), p. 6652-6681
doi: 10.1021/acs.jmedchem.2c02097

Silhan, J.; Klima, M.; Otava, T.; Skvara, P.; Chalupska, D.; Chalupsky, K.; Kozic, J.; Nencka, R.; Boura, E.: Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. , Nature Communications 14 (2023), p. 2259/1-9
doi: 10.1038/s41467-023-38019-1

Sigurdsson, A.; Martins, B.M.; Düttmann, S.A.; Jasyk, M.; Dimos-Röhl, B.; Schöpf, F.; Gemander, M.; Knittel, C.H.; Schnegotzki, R.; Schmid, B.; Kosol, S.; Pommerening, L.; Gonzales-Viegaz, M.; Seidel, M.; Hügelland, M.; Leimkühler, S.; Dobbek, H.; Mainz, A.; Süssmuth, R.D.: Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL. , Angewandte Chemie - International Edition 62 (2023), p. e202302490/1-11
doi: 10.1002/anie.202302490

Kugler, M.; Hadzima, M.; Dzijak, R.; Rampmaier, R.; Srb, P.; Vrzal, L.; Voburka, Z.; Majer, P.; Rezacova, P.; Vrabel, M.: Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. , RSC Medicinal Chemistry 14 (2023), p. 144-153
doi: 10.1039/d2md00330a

Hamre, A.G.; Al-Sadawi, R.; Johannesen, K.M.; Bisarro, B.; Kjendseth, A.R.; Leiros, H.S.; Sorlie, M.: Initial characterization of an iron superoxide dismutase from Thermobifida fusca. , Journal of Biological Inorganic Chemistry 28 (2023), p. 689-698
doi: 10.1007/s00775-023-02019-9

Schackert, F.K.; Biedermann, J.; Abdolvand, S.; Minniberger, S.; Song, C.; Plested, A.J.R.; Carloni, P.; Sun, H.: Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. , Journal of Chemical Information and Modeling 63 (2023), p. 1293-1300
doi: 10.1021/acs.jcim.2c01494

Zuber, Philipp: Mechanistische Untersuchungen zur Regulation der bakteriellen Transkription durch NusG-Proteine. , Uni Bayreuth, 2023

Abualrous, E.T.; Stolzenberg, S.; Sticht, J.; Wieczorek, M.; Roske, Y.; Gunther, M.; Dahn, S.; Boesen, B.B.; Calvo, M.M.; Biese, C.; Kuppler, F.; Medina-Garcia, A.; Alvaro-Benito, M.; Hofer, T.; Noe, F.; Freund, C.: MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange. , Nature Chemical Biology 19 (2023), p. 1196-1204
doi: 10.1038/s41589-023-01316-3

Adolph, R.S.; Beck, E.; Schweimer, K.; Di Fonzo, A.; Weyand, M.; Rosch, P.; Wöhrl, B.M.; Steegborn, C.: Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein. , Life (Basel) 13 (2023), p. 949/1-17
doi: 10.3390/life13040949

Cowan, R.; Trokter, M.; Oleksy, A.; Fedorova, M.; Sawmynaden, K.; Worzfeld, T.; Offermanns, S.; Matthews, D.; Carr, M.D.; Hall, G.: Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signalling. , Journal of Biological Chemistry 299 (2023), p. 104740/1-16
doi: 10.1016/j.jbc.2023.104740

Füsser, F.T.; Wollenhaupt, J.; Weiss, M.S.; Kümmel, D.; Koch, O.: Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening. , Acta Crystallographica Section D - Structural biology 79 (2023), p. 857-865
doi: 10.1107/s2059798323005223
Data-doi: 10.17879/40019550156
Data-doi: 10.17879/69998577695
Data-doi: 10.17879/39998753552

Nietzold, F.; Rubner, S.; Labuzek, B.; Golik, P.; Surmiak, E.; Del Corte, X.; Kitel, R.; Protzel, C.; Reppich-Sacher, R.; Stichel, J.; Magiera-Mularz, K.; Holak, T.A.; Berg, T.: Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group. , ChemBioChem 24 (2023), p. e202300006/1-6
doi: 10.1002/cbic.202300006

Heyder, L.; Hochban, P.M.M.; Taylor, C.; Chevillard, F.; Siefker, C.; Iking, C.; Borchardt, H.; Aigner, A.; Klebe, G.; Heine, A.; Kolb, P.; Diederich, W.E.: Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. , European Journal of Medicinal Chemistry 245 (2023), p. 114914/1-23
doi: 10.1016/j.ejmech.2022.114914

Tusar, L.; Loboda, J.; Impens, F.; Sosnowski, P.; Van Quickelberghe, E.; Vidmar, R.; Demol, H.; Sedeyn, K.; Saelens, X.; Vizovisek, M.; Mihelic, M.; Fonovic, M.; Horvat, J.; Kosec, G.; Turk, B.; Gevaert, K.; Turk, D.: Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. , Communications Biology 6 (2023), p. 450/1-15
doi: 10.1038/s42003-023-04772-8

Izhaki-Tavor, L.S.; Yechezkel, I.G.; Alter, J.; Dessau, M.: RNA Encapsulation Mode and Evolutionary Insights from the Crystal Structure of Emaravirus Nucleoprotein. , Microbiology Spectrum 11 (2023), p. e05018-22
doi: 10.1128/spectrum.05018-22

Sun, S.; Fushimi, M.; Rossetti, T.; Kaur, N.; Ferreira, J.; Miller, M.; Quast, J.; van den Heuvel, J.; Steegborn, C.; Levin, L.R.; Buck, J.; Myers, R.W.; Kargman, S.; Liverton, N.; Meinke, P.T.; Huggins, D.J.: Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation. , Journal of Chemical Information and Modeling 63 (2023), p. 2828-2841
doi: 10.1021/acs.jcim.2c01577

Basak, Y.; Jeoung, J.H.; Domnik, L.; Dobbek, H.: Stepwise O2-Induced Rearrangement and Disassembly of the [NiFe4(OH)(μ3-S)4] Active Site Cluster of CO Dehydrogenase. , Angewandte Chemie - International Edition 62 (2023), p. e202305341/1-7
doi: 10.1002/anie.202305341

Nielipinski, M.; Pietrzyk-Brzezinska, A.; Wlodawer, A.; Sekula, B.: Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae. , Frontiers in Plant Science 14 (2023), p. 1297956/1-14
doi: 10.3389/fpls.2023.1297956

Szabo, E.; Nemes-Nikodem, E.; Vass, K.R.; Zambo, Z.; Zrupko, E.; Torocsik, B.; Ozohanics, O.; Nagy, B.; Ambrus, A.: Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase. , International Journal of Molecular Sciences 24 (2023), p. 10826/1-23
doi: 10.3390/ijms241310826

Sievers, Katharina: Structural and functional investigation of tRNA guanine transglycosylase. , Uni Göttingen, 2023

Kratky, J.; Eggerichs, D.; Heine, T.; Hofmann, S.; Sowa, P.; Weisse, R.H.; Tischler, D.; Sträter, N.: Structural and Mechanistical Studies on Substrate and Stereo Selectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. , Angewandte Chemie - International Edition 62 (2023), p. e202300657/1-8
doi: 10.1002/anie.202300657

Skvara, P.; Chalupska, D.; Klima, M.; Kozic, J.; Silhan, J.; Boura, E.: Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39. , Antiviral Research 216 (2023), p. 105663/1-4
doi: 10.1016/j.antiviral.2023.105663

Useini, A.; Engelberger, F.; Künze, G.; Sträter, N.: Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH. , Environment International 173 (2023), p. 107822/1-11
doi: 10.1016/j.envint.2023.107822

Marcinkiewicz, A.L.; Brangulis, K.; Dupuis, A.P.; Hart, T.M.; Zamba-Campero, M.; Nowak, T.A.; Stout, J.L.; Akopjana, I.; Kazaks, A.; Bogans, J.; Ciota, A.T.; Kraiczy, P.; Kolokotronis, S.O.; Lin, Y.P.: Structural evolution of an immune evasion determinant shapes pathogen host tropism. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 120 (2023), p. e2301549120/1-9
doi: 10.1073/pnas.2301549120

Petrovic, S.; Roske, Y.; Rami, B.; Phan, M.H.Q.; Panakova, D.; Heinemann, U.: Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 120 (2023), p. e2208941120/1-12
doi: 10.1073/pnas.2208941120

Wojcik, P.; Glanowski, M.; Mrugala, B.; Procner, M.; Zastawny, O.; Flejszar, M.; Kurpiewska, K.; Niedzialkowska, E.; Minor, W.; Oszajca, M.; Bojarski, A.J.; Wojtkiewicz, A.M.; Szaleniec, M.: Structure, Mutagenesis, and QM:MM Modeling of 3-Ketosteroid Delta 1 -Dehydrogenase from Sterolibacterium denitrificans ?The Role of a New Putative Membrane-Associated Domain and Proton-Relay System in Catalysis. , Biochemistry 62 (2023), p. 808-823
doi: 10.1021/acs.biochem.2c00576

Knaup, F.H.; Meyners, C.; Sugiarto, W.O.; Wedel, S.; Springer, M.; Walz, C.; Geiger, T.M.; Schmidt, M.; Sisignano, M.; Hausch, F.: Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. , Journal of Medicinal Chemistry 66 (2023), p. 5965-5980
doi: 10.1021/acs.jmedchem.3c00249

Roske, Y.; Lindemann, F.; Diehl, A.; Cremer, N.; Higman, V.A.; Schlegel, B.; Leidert, M.; Driller, K.; Turgay, K.; Schmieder, P.; Heinemann, U.; Oschkinat, H.: TapA acts as specific chaperone in TasA filament formation by strand complementation. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 120 (2023), p. e2217070120/1-12
doi: 10.1073/pnas.2217070120

Maly, M.; Kolenko, P.; Stransky, J.; Svecova, L.; Duskova, J.; Koval', T.; Skalova, T.; Trundova, M.; Adamkova, K.; Cerny, J.; Bozikova, P.; Dohnalek, J.: Tetracycline-modifying enzyme SmTetX from Stenotrophomonas maltophilia. , Acta Crystallographica Section F - Structural Biology Communications 79 (2023), p. 180-192
doi: 10.1107/s2053230x23005381

Tan, D.S.; Cheung, S.L.; Gao, Y.; Weinbuch, M.; Hu, H.; Shi, L.; Ti, S.C.; Hutchins, A.P.; Cojocaru, V.; Jauch, R.: The homeodomain of Oct4 is a dimeric binder of methylated CpG elements. , Nucleic Acids Research 51 (2023), p. 1120–1138
doi: 10.1093/nar/gkac1262

Hammerschmidt, S.J.; Huber, S.; Braun, N.J.; Lander, M.; Steinmetzer, T.; Kersten, C.: Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs. , Archiv der Pharmazie : Arch Pharm 356 (2023), p. e2200518/1-10
doi: 10.1002/ardp.202200518

Aguirre, Tim: Towards Selective Kinase Inhibitors by Chemical Genetics and Photopharmacology. , HU Berlin, 2023

Kalnins, G.; Ludviga, R.; Kalnciema, I.; Resevica, G.; Zeltina, V.; Bogans, J.; Tars, K.; Zeltins, A.; Balke, I.: VPg Impact on Ryegrass Mottle Virus Serine-like 3C Protease Proteolysis and Structure. , International Journal of Molecular Sciences 24 (2023), p. 5347/1-21
doi: 10.3390/ijms24065347

Bikmullin, A.G.; Fatkhullin, B.; Stetsenko, A.; Gabdulkhakov, A.; Garaeva, N.; Nurullina, L.; Klochkova, E.; Golubev, A.; Khusainov, I.; Trachtmann, N.; Blokhin, D.; Guskov, A.; Validov, S.; Usachev, K.; Yusupov, M.: Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus. , International Journal of Molecular Sciences 24 (2023), p. 2118/1-15
doi: 10.3390/ijms24032118

2022

Jorda, R.; Havlicek, L.; Perina, M.; Vojackova, V.; Pospisil, T.; Djukic, S.; Skerlova, J.; Gruz, J.; Renesova, N.; Klener, P.; Rezacova, P.; Strnad, M.; Krystof, V.: 3,5,7-Substituted Pyrazolo[4,3-d]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders. , Journal of Medicinal Chemistry 65 (2022), p. 8881-8896
doi: 10.1021/acs.jmedchem.1c02184

Wu, S.; Xiang, C.; Zhou, Y.; Khan, M.S.H.; Liu, W.; Feiler, C.G.; Wei, R.; Weber, G.; Höhne, M.; Bornscheuer, U.T.: A growth selection system for the directed evolution of amine-forming or converting enzymes. , Nature Communications 13 (2022), p. 7458/1-10
doi: 10.1038/s41467-022-35228-y

Jeoung, J.H.; Fesseler, J.; Domnik, L.; Klemke, F.; Sinnreich, M.; Teutloff, C.; Dobbek, H.: A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold. , Angewandte Chemie - International Edition 61 (2022), p. e202117000/1-8
doi: 10.1002/anie.202117000

Kordes, S.; Romero-Romero, S.; Lutz, L.; Höcker, B.: A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels. , Protein Science 31 (2022), p. 513-527
doi: 10.1002/pro.4249

Böhnke, N.; Berger, M.; Griebenow, N.; Rottmann, A.; Erkelenz, M.; Hammer, S.; Berndt, S.; Günther, J.; Wengner, A.M.; Stelte-Ludwig, B.; Mahlert, C.; Greven, S.; Dietz, L.; Jörissen, H.; Barak, N.; Bömer, U.; Hillig, R.C.; Eberspaecher, U.; Weiske, J.; Giese, A.; Mumberg, D.; Nising, C.F.; Weinmann, H.; Sommer, A.: A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. , Bioconjugate Chemistry 33 (2022), p. 1210-1221
doi: 10.1021/acs.bioconjchem.2c00178

Günther, J.; Hillig, R.C.; Zimmermann, K.; Kaulfuss, S.; Lemos, C.; Nguyen, D.; Rehwinkel, H.; Habgood, M.; Lechner, C.; Neuhaus, R.; Ganzer, U.; Drewes, M.; Chai, J.; Bouche, L.: BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. , Journal of Medicinal Chemistry 65 (2022), p. 14366-14390
doi: 10.1021/acs.jmedchem.2c00441

Romero, J.A.L.; Meyners, C.; Christmann, A.; Reinbold, L.M.; Charalampidou, A.; Hausch, F.; Kolmar, H.: Binding pocket stabilization by high-throughput screening of yeast display libraries. , Frontiers in Molecular Biosciences 9 (2022), p. 1023131/1-16
doi: 10.3389/fmolb.2022.1023131

Ringel, M.; Dimos, N.; Himpich, S.; Haack, M.; Huber, C.; Eisenreich, W.; Schenk, G.; Loll, B.; Bruck, T.: Biotechnological potential and initial characterization of two novel sesquiterpene synthases from Basidiomycota Coniophora puteana for heterologous production of delta-cadinol. , Microbial Cell Factories 21 (2022), p. 64/1-15
doi: 10.1186/s12934-022-01791-8

Diamanti, R.; Srinivas, V.; Johansson, A.I.; Nordström, A.; Griese, J.J.; Lebrette, H.; Högbom, M.: Comparative structural analysis provides new insights into the function of R2-like ligand-binding oxidase. , FEBS Letters 596 (2022), p. 1600-1610
doi: 10.1002/1873-3468.14319

Klima, M.; Khalili Yazdi, A.; Li, F.; Chau, I.; Hajian, T.; Bolotokova, A.; Kaniskan, H.U.; Han, Y.; Wang, K.; Li, D.; Luo, M.; Jin, J.; Boura, E.; Vedadi, M.: Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. , Protein Science 31 (2022), p. e4395/1-9
doi: 10.1002/pro.4395

Rhys, G.G.; Cross, J.A.; Dawson, W.M.; Thompson, H.F.; Shanmugaratnam, S.; Savery, N.J.; Dodding, M.P.; Höcker, B.; Woolfson, D.N.: De novo designed peptides for cellular delivery and subcellular localisation. , Nature Chemical Biology 18 (2022), p. 999–1004
doi: 10.1038/s41589-022-01076-6
Data-doi: 10.5281/zenodo.6519961

Vavrina, Z.; Perlíkova, P.; Milisavljevic, N.; Chevrier, F.; Smola, ; Smith, J.; Dejmek, M.; Havlicek, V.; Budesinsky, M.; Liboska, R.; Vanekova, L.; Brynda, J.; Boura, E.; Rezacova, P.; Hocek, M.; Birkus, G.: Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. , Journal of Medicinal Chemistry 65 (2022), p. 14082–14103
doi: 10.1021/acs.jmedchem.2c01305

Miller, M.; Rossetti, T.; Ferreira, J.; Ghanem, L.; Balbach, M.; Kaur, N.; Levin, L.R.; Buck, J.; Kehr, M.; Coquille, S.; van den Heuvel, J.; Steegborn, C.; Fushimi, M.; Finkin-Groner, E.; Myers, R.W.; Kargman, S.; Liverton, N.J.; Huggins, D.J.; Meinke, P.T.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates. , Journal of Medicinal Chemistry 65 (2022), p. 15208-15226
doi: 10.1021/acs.jmedchem.2c01133

Lennartz, F.; Jeoung, J.H.; Ruenger, S.; Dobbek, H.; Weiss, M.S.: Determining the oxidation state of elements by X-ray crystallography. , Acta Crystallographica Section D - Structural biology 78 (2022), p. 238-247
doi: 10.1107/S2059798321013048

Lo, W.T.; Belabed, H.; Kucukdisli, M.; Metag, J.; Roske, Y.; Prokofeva, P.; Ohashi, Y.; Horatscheck, A.; Cirillo, D.; Krauss, M.; Schmied, C.; Neuenschwander, M.; von Kries, J.P.; Medard, G.; Kuster, B.; Perisic, O.; Williams, R.L.; Daumke, O.; Payrastre, B.; Severin, S.; Nazare, M.; Haucke, V.: Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha. , Nature Chemical Biology 19 (2022), p. 18–27
doi: 10.1038/s41589-022-01118-z

Hasan, M.; Schulze, S.; Berndt, L.; Palm, G.J.; Braga, D.; Richter, I.; Last, D.; Lammers, M.; Lackner, G.: Diversification by CofC and Control by CofD Govern Biosynthesis and Evolution of Coenzyme F 420 and Its Derivative 3PG-F 420. , mBio 13 (2022), p. e03501-21/1-15
doi: 10.1128/mbio.03501-21

Strom, A.; Shah, R.; Dolot, R.; Rogers, M.S.; Tong, C.L.; Wang, D.; Xia, Y.; Lipscomb, J.D.; Wagner, C.R.: Dynamic Long-Range Interactions Influence Substrate Binding and Catalysis by Human Histidine Triad Nucleotide-Binding Proteins (HINTs), Key Regulators of Multiple Cellular Processes and Activators of Antiviral ProTides. , Biochemistry 61 (2022), p. 2648-2661
doi: 10.1021/acs.biochem.2c00506

Ravichandran, K.E.; Kaduhr, L.; Skupien-Rabian, B.; Shvetsova, E.; Sokolowski, M.; Krutyholowa, R.; Kwasna, D.; Brachmann, C.; Lin, S.; Guzman Perez, S.; Wilk, P.; Kösters, M.; Grudnik, P.; Jankowska, U.; Leidel, S.; Schaffrath, R.; Glatt, S.: E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation. , The EMBO Journal 41 (2022), p. e111318/1-23
doi: 10.15252/embj.2022111318

Fietze, T.; Wilk, P.; Kabinger, F.; Anoosheh, S.; Hofer, A.; Lundin, D.; Feiler, C.G.; Weiss, M.S.; Loderer, C.: HUG Domain Is Responsible for Active Dimer Stabilization in an NrdJd Ribonucleotide Reductase. , Biochemistry 61 (2022), p. 1633-1641
doi: 10.1021/acs.biochem.2c00173

Pilgram, O.; Keils, A.; Benary, G.E.; Müller, J.; Merkl, S.; Ngaha, S.; Huber, S.; Chevillard, F.; Harbig, A.; Magdolen, V.; Heine, A.; Böttcher-Friebertshauser, E.; Steinmetzer, T.: Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors. , European Journal of Medicinal Chemistry 238 (2022), p. 114437/1-17
doi: 10.1016/j.ejmech.2022.114437

von Horsten, S.; Lippert, M.L.; Geisselbrecht, Y.; Schuhle, K.; Schall, I.; Essen, L.O.; Heider, J.: Inactive pseudoenzyme subunits in heterotetrameric BbsCD, a novel short-chain alcohol dehydrogenase involved in anaerobic toluene degradation. , FEBS Journal 289 (2022), p. 1023-1042
doi: 10.1111/febs.16216

Anindita, P.D.; Halbeisen, M.; Reha, D.; Tuma, R.; Franta, Z.: Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase. , Journal of Biological Chemistry 298 (2022), p. 102383/1-14
doi: 10.1016/j.jbc.2022.102383

Salerno-Kochan, A.; Horn, A.; Ghosh, P.; Nithin, C.; Koscielniak, A.; Meindl, A.; Strauss, D.; Krutyholowa, R.; Rossbach, O.; Bujnicki, J.M.; Gaik, M.; Medenbach, J.; Glatt, S.: Molecular insights into RNA recognition and gene regulation by the TRIM-NHL protein Mei-P26. , Langmuir 5 (2022), p. e202201418/1-17
doi: 10.26508/lsa.202201418
Data-doi: 10.17632/jvkcfwyz47.1

Pfaff, L.; Gao, J.; Li, Z.; Jackering, A.; Weber, G.; Mican, J.; Chen, Y.; Dong, W.; Han, X.; Feiler, C.G.; Ao, Y.F.; Badenhorst, C.P.S.; Bednar, D.; Palm, G.J.; Lammers, M.; Damborsky, J.; Strodel, B.; Liu, W.; Bornscheuer, U.T.; Wei, R.: Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. , ACS Catalysis 12 (2022), p. 9790-9800
doi: 10.1021/acscatal.2c02275

Loch, J.I.; Barciszewski, J.; Sliwiak, J.; Bonarek, P.; Wrobel, P.; Pokrywka, K.; Shabalin, I.G.; Minor, W.; Jaskolski, M.; Lewinski, K.: New ligand-binding sites identified in the crystal structures of beta-lactoglobulin complexes with desipramine. , IUCrJ 9 (2022), p. 386-398
doi: 10.1107/S2052252522004183

Ruickoldt, J.; Basak, Y.; Domnik, L.; Jeoung, J.H.; Dobbek, H.: On the Kinetics of CO2 Reduction by Ni, Fe-CO Dehydrogenases. , ACS Catalysis 12 (2022), p. 13131-13142
doi: 10.1021/acscatal.2c02221

Ravichandran, M.; Rafalski, D.; Davies, C.I.; Ortega-Recalde, O.; Nan, X.; Glanfield, C.R.; Kotter, A.; Misztal, K.; Wang, A.H.; Wojciechowski, M.; Razew, M.; Mayyas, I.M.; Kardailsky, O.; Schwartz, U.; Zembrzycki, K.; Morison, I.M.; Helm, M.; Weichenhan, D.; Jurkowska, R.Z.; Krueger, F.; Plass, C.; Zacharias, M.; Bochtler, M.; Hore, T.A.; Jurkowski, T.P.: Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function. , Science Advances 8 (2022), p. eabm2427/1-15
doi: 10.1126/sciadv.abm2427
Data-doi: 10.7910/DVN/UTMEWY

Dietler, J.; Gelfert, R.; Kaiser, J.; Borin, V.; Renzl, C.; Pilsl, S.; Ranzani, A.T.; Garcia de Fuentes, A.; Gleichmann, T.; Diensthuber, R.P.; Weyand, M.; Mayer, G.; Schapiro, I.; Möglich, A.: Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine. , Nature Communications 13 (2022), p. 2618/1-16
doi: 10.1038/s41467-022-30252-4
Data-doi: 10.5281/zenodo.6341885

Akopjana, I.; Brangulis, K.: Structural Analysis of the Outer Membrane Lipoprotein BBA14 (OrfD) and the Corresponding Paralogous Gene Family 143 (PFam143) from Borrelia burgdorferi. , Pathogens (Basel) 11 (2022), p. 154/1-12
doi: 10.3390/pathogens11020154

Gisdon, F.J.; Feiler, C.G.; Kempf, O.; Foerster, J.M.; Haiss, J.; Blankenfeldt, W.; Ullmann, G.M.; Bombarda, E.: Structural and Biophysical Analysis of the Phytochelatin-Synthase-Like Enzyme from Nostoc sp. Shows That Its Protease Activity is Sensitive to the Redox State of the Substrate. , ACS Chemical Biology 17 (2022), p. 883-897
doi: 10.1021/acschembio.1c00941

Nagel, F.; Palm, G.J.; Geist, N.; McDonnell, T.C.R.; Susemihl, A.; Girbardt, B.; Mayerle, J.; Lerch, M.M.; Lammers, M.; Delcea, M.: Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin. , International Journal of Molecular Sciences 23 (2022), p. 3468/1-14
doi: 10.3390/ijms23073468

Palm, G.J.; Thomsen, M.; Berndt, L.; Hinrichs, W.: Structural Basis for (2R,3R)-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus. , Molecules (Basel) 27 (2022), p. 7909/1-12
doi: 10.3390/molecules27227909

Jeoung, J.H.; Nicklisch, S.; Dobbek, H.: Structural basis for coupled ATP-driven electron transfer in the double-cubane cluster protein. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 119 (2022), p. e2203576119/1-8
doi: 10.1073/pnas.2203576119

Lo, W.T.; Zhang, Y.; Vadas, O.; Roske, Y.; Gulluni, F.; De Santis, M.C.; Zagar, A.V.; Stephanowitz, H.; Hirsch, E.; Liu, F.; Daumke, O.; Kudryashev, M.; Haucke, V.: Structural basis of phosphatidylinositol 3-kinase C2 alpha function. , Nature Structural & Molecular Biology 29 (2022), p. 218-228
doi: 10.1038/s41594-022-00730-w

Nagel, F.; Susemihl, A.; Geist, N.; Moehlis, K.; Palm, G.J.; Lammers, M.; Delcea, M.: Structural Basis of the Pancreatitis-Associated Autoproteolytic Failsafe Mechanism in Human Anionic Trypsin. , Journal of Inflammation Research 15 (2022), p. 3633-3642
doi: 10.2147/JIR.S367699

Von Haugwitz, G.; Han, X.; Pfaff, L.; Li, Q.; Wei, H.; Gao, J.; Methling, K.; Ao, Y.; Brack, Y.; Mican, J.; Feiler, C.G.; Weiss, M.S.; Bednar, D.; Palm, G.J.; Lalk, M.; Lammers, M.; Damborsky, J.; Weber, G.; Liu, W.; Bornscheuer, U.T.; Wei, R.: Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization. , ACS Catalysis 12 (2022), p. 15259-15270
doi: 10.1021/acscatal.2c03772

Bock-Bierbaum, T.; Funck, K.; Wollweber, F.; Lisicki, E.; von der Malsburg, K.; von der Malsburg, A.; Laborenz, J.; Noel, J.K.; Hessenberger, M.; Jungbluth, S.; Bernert, C.; Kunz, S.; Riedel, D.; Lilie, H.; Jakobs, S.; van der Laan, M.; Daumke, O.: Structural insights into crista junction formation by the Mic60-Mic19 complex. , Science Advances 8 (2022), p. eabo4946/1-12
doi: 10.1126/sciadv.abo4946

van der Ent, F.; Lund, B.A.; Svalberg, L.; Purg, M.; Chukwu, G.; Widersten, M.; Isaksen, G.V.; Brandsdal, B.O.; Aqvist, J.: Structure and Mechanism of a Cold-Adapted Bacterial Lipase. , Biochemistry 61 (2022), p. 933-942
doi: 10.1021/acs.biochem.2c00087

Scortichini, M.; Idris, R.M.; Moschütz, S.; Keim, A.; Salmaso, V.; Dobelmann, C.; Oliva, P.; Losenkova, K.; Irjala, H.; Vaittinen, S.; Sandholm, J.; Yegutkin, G.G.; Sträter, N.; Junker, A.; Müller, C.E.; Jacobson, K.A.: Structure-Activity Relationship of 3-Methylcytidine-5'-α,β-methylenediphosphates as CD73 Inhibitors. , Journal of Medicinal Chemistry 65 (2022), p. 2409-2433
doi: 10.1021/acs.jmedchem.1c01852

Specker, E.; Matthes, S.; Wesolowski, R.; Schutz, A.; Grohmann, M.; Alenina, N.; Pleimes, D.; Mallow, K.; Neuenschwander, M.; Gogolin, A.; Weise, M.; Pfeifer, J.; Ziebart, N.; Heinemann, U.; Kries, J.P.v.; Nazare, M.; Bader, M.: Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. , Journal of Medicinal Chemistry 65 (2022), p. 11126-11149
doi: 10.1021/acs.jmedchem.2c00598

Truongvan, N.; Li, S.; Misra, M.; Kuhn, M.; Schindelin, H.: Structures of UBA6 explain its dual specificity for ubiquitin and FAT10. , Nature Communications 13 (2022), p. 4789/1-12
doi: 10.1038/s41467-022-32040-6

Basak, Y.; Jeoung, J.H.; Domnik, L.; Ruickoldt, J.; Dobbek, H.: Substrate Activation at the Ni,Fe Cluster of CO Dehydrogenases: The Influence of the Protein Matrix. , ACS Catalysis 12 (2022), p. 12711-12719
doi: 10.1021/acscatal.2c02922

Gabdulkhakov, A.; Kolyadenko, I.; Oliveira, P.; Tamagnini, P.; Mikhaylina, A.; Tishchenko, S.: The role of positive charged residue in the proton-transfer mechanism of two-domain laccase from Streptomyces griseoflavus Ac-993. , Journal of Biomolecular Structure and Dynamics 40 (2022), p. 8324-8331
doi: 10.1080/07391102.2021.1911852

Radilova, K.; Zima, V.; Kral, M.; Machara, A.; Majer, P.; Hodek, J.; Weber, J.; Brynda, J.; Strmen, T.; Konvalinka, J.; Kozisek, M.: Thermodynamic and structural characterization of an optimized peptide-based inhibitor of the influenza polymerase PA-PB1 subunit interaction. , Antiviral Research 208 (2022), p. 105449/1-9
doi: 10.1016/j.antiviral.2022.105449

2021

Pohl, P.; Joshi, R.; Petrvalska, O.; Obsil, T.; Obsilova, V.: 14-3-3-protein regulates Nedd4-2 by modulating interactions between HECT and WW domains. , Communications Biology 4 (2021), p. 899/1-15
doi: 10.1038/s42003-021-02419-0

Ebner, F.; Lindner, K.; Janek, K.; Niewienda, A.; Malecki, P.H.; Weiss, M.S.; Sutherland, T.E.; Heuser, A.; Kühl, A.A.; Zentek, J.; Hofmann, A.; Hartmann, S.: A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease. , Journal of Immunology Research 2021 (2021), p. 6234836/1-24
doi: 10.1155/2021/6234836

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.: A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. , ACS Infectious Diseases 7 (2021), p. 746-758
doi: 10.1021/acsinfecdis.0c00437

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.: A Structural View on the Stereospecificity of Plant Borneol-Type Dehydrogenases. , ChemCatChem 13 (2021), p. 2262-2277
doi: 10.1002/cctc.202100110

Ambrus, Attila: A szerkezet összefüggése a funkcióval válogatott biológiai rendszerekben = Interrelation between structure and function in selected biological systems. , Semmelweis University, Budapest, University Habilitation Thesis, 2021

Pan, J.; Lian, K.; Sarre, A.; Leiros, H.-K.S.; Williamson, A.: Bacteriophage origin of some minimal ATP-dependent DNA ligases: a new structure from Burkholderia pseudomallei with striking similarity to Chlorella virus ligase. , Scientific Reports 11 (2021), p. 18693/1-14
doi: 10.1038/s41598-021-98155-w

Weiß, Sandra Kristin: Biochemische und strukturelle Charakterisierung der Regulation von Sirtuinen durch AROS und Kleinmoleküle. , Universität Bayreuth, Diss., 2021

Svecová, L.; Ostergaard, L.H.; Skalová, T.; Schnorr, K.M.; Koval', T.; Kolenko, P.; Stránský, J.; Sedlák, D.; Dusková, J.; Trundová, M.; Hasek, J.; Dohnálek, J.: Corrigendum: Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 980-981
doi: 10.1107/S2059798321006100

Fröhlich, C.; Gama, J.A.; Harms, K.; Hirvonen, V.H.A.; Lund, B.A.; van der Kamp, M.W.; Johnsen, P.J.; Samuelsen, O.; Leiros, H.S.: Cryptic beta-Lactamase Evolution Is Driven by Low beta-Lactam Concentrations. , mSphere 6 (2021), p. e00108-21/1-18
doi: 10.1128/mSphere.00108-21

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.: Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication. , The EMBO Journal 40 (2021), p. e105202/1-21
doi: 10.15252/embj.2020105202

Loch, J.I.; Imiolczyk, B.; Sliwiak, J.; Wantuch, A.; Bejger, M.; Gilski, M.; Jaskolski, M.: Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site. , Nature Communications 12 (2021), p. 6717/1-11
doi: 10.1038/s41467-021-27105-x

Pastor, M.; Czapinska, H.; Helbrecht, I.; Krakowska, K.; Lutz, T.; Xu, S.Y.; Bochtler, M.: Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA. , Nucleic Acids Research 49 (2021), p. 1708-1723
doi: 10.1093/nar/gkaa1218

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.: Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 237-248
doi: 10.1107/S2059798320016125

Svecova, L.; Ostergaard, L.H.; Skalova, T.; Schnorr, K.M.; Koval, T.; Kolenko, P.; Stransky, J.; Sedlak, D.; Duskova, J.; Trundova, M.; Hasek, J.; Dohnalek, J.: Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 755-775
doi: 10.1107/s2059798321003533

Iermak, I.; Degtjarik, O.; Havlickova, P.; Kuty, M.; Chaloupkova, R.; Damborsky, J.; Prudnikova, T.; Smatanova, I.: Description of Transport Tunnel in Haloalkane Dehalogenase Variant LinB D147C+L177C from Sphingobium japonicum. , Catalysts 11 (2021), p. 5/1-15
doi: 10.3390/catal11010005

Russ, N.; Schroder, M.; Berger, B.T.; Mandel, S.; Aydogan, Y.; Mauer, S.; Pohl, C.; Drewry, D.H.; Chaikuad, A.; Muller, S.; Knapp, S.: Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. , Journal of Medicinal Chemistry 64 (2021), p. 14358-14376
doi: 10.1021/acs.jmedchem.1c00845

Butera, R.; Wazynska, M.; Magiera-Mularz, K.; Plewka, J.; Musielak, B.; Surmiak, E.; Sala, D.; Kitel, R.; de Bruyn, M.; Nijman, H.W.; Elsinga, P.H.; Holak, T.A.; Dömling, A.: Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists. , ACS Medicinal Chemistry Letters 12 (2021), p. 768-773
doi: 10.1021/acsmedchemlett.1c00033

Röhm, S.; Berger, B.T.; Schröder, M.; Chatterjee, D.; Mathea, S.; Joerger, A.C.; Pinkas, D.M.; Bufton, J.C.; Tjaden, A.; Kovooru, L.; Kudolo, M.; Pohl, C.; Bullock, A.N.; Müller, S.; Laufer, S.; Knapp, S.: Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. , Journal of Medicinal Chemistry 64 (2021), p. 13451-13474
doi: 10.1021/acs.jmedchem.1c00868

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.; Sträter, N.; Scaletti, E.R.; Jin, L.; Xu, G.; Leleti, M.R.; Powers, J.P.: Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors. , Journal of Medicinal Chemistry 64 (2021), p. 845-860
doi: 10.1021/acs.jmedchem.0c01835

Fushimi, M.; Buck, H.; Balbach, M.; Gorovyy, A.; Ferreira, J.; Rossetti, T.; Kaur, N.; Levin, L.R.; Buck, J.; Quast, J.; Van Den Heuvel, J.; Steegborn, C.; Finkin-Groner, E.; Kargman, S.; Michino, M.; Foley, M.A.; Miller, M.; Liverton, N.J.; Huggins, D.J.; Meinke, P.T.: Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10). , ACS Medicinal Chemistry Letters 12 (2021), p. 1283-1287
doi: 10.1021/acsmedchemlett.1c00273

Gradl, S.; Steuber, H.; Weiske, J.; Szewczyk, M.M.; Schmees, N.; Siegel, S.; Stoeckigt, D.; Christ, C.D.; Li, F.; Organ, S.; Abbey, M.; Kennedy, S.; Chau, I.; Trush, V.; Barsyte-Lovejoy, D.; Brown, P.J.; Vedadi, M.; Arrowsmith, C.; Husemann, M.; Badock, V.; Bauser, M.; Haegebarth, A.; Hartung, I.V.; Stresemann, C.: Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. , SLAS Discovery 26 (2021), p. 947-960
doi: 10.1177/24725552211019409

Takenaka, M.; Takenaka, S.; Barthel, T.; Frink, B.; Haag, S.; Verbitskiy, D.; Oldenkott, B.; Schallenberg-Rüdinger, M.; Feiler, C.G.; Weiss, M.S.; Palm, G.J.; Weber, G.: DYW domain structures imply an unusual regulation principle in plant organellar RNA editing catalysis. , Nature Catalysis 4 (2021), p. 510-522
doi: 10.1038/s41929-021-00633-x

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.: Effective rational humanization of a PASylated anti-galectin-3 Fab for the sensitive PET imaging of thyroid cancer in vivo. , Scientific Reports 11 (2021), p. 7358/1-18
doi: 10.1038/s41598-021-86641-0

Kolyadenko, I.; Scherbakova, A.; Kovalev, K.; Gabdulkhakov, A.; Tishchenko, S.: Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993. , International Journal of Molecular Sciences 23 (2021), p. 65/1-18
doi: 10.3390/ijms23010065

Carter, D.M.; Specker, E.; Malecki, P.H.; Przygodda, J.; Dudaniec, K.; Weiss, M.S.; Heinemann, U.; Nazaré, M.; Gohlke, U.: Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. , Journal of Medicinal Chemistry 64 (2021), p. 14266-14282
doi: 10.1021/acs.jmedchem.1c00693

Lan, H.; Abualrous, E.T.; Sticht, J.; Fernandez, L.M.A.; Werk, T.; Weise, C.; Ballaschk, M.; Schmieder, P.; Loll, B.; Freund, C.: Exchange catalysis by tapasin exploits conserved and allele-specific features of MHC-I molecules. , Nature Communications 12 (2021), p. 4236/1-13
doi: 10.1038/s41467-021-24401-4

Telzerow, A.; Paris, J.; Hakansson, M.; Gonzalez-Sabin, J.; Rios-Lombardia, N.; Gröger, H.; Moris, F.; Schurmann, M.; Schwab, H.; Steiner, K.: Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members. , ChemBioChem 22 (2021), p. 1232-1242
doi: 10.1002/cbic.202000692

Wiese, J.G.; Shanmugaratnam, S.; Höcker, B.: Extension of a de novo TIM barrel with a rationally designed secondary structure element. , Protein Science 30 (2021), p. 982-989
doi: 10.1002/pro.4064

Kröger, P.; Shanmugaratnam, S.; Scheib, U.; Höcker, B.: Fine-tuning spermidine binding modes in the putrescine binding protein PotF. , Journal of Biological Chemistry 297 (2021), p. 101419/1-12
doi: 10.1016/j.jbc.2021.101419

Metz, A.; Wollenhaupt, J.; Glöckner, S.; Messini, N.; Huber, S.; Barthel, T.; Merabet, A.; Gerber, H.D.; Heine, A.; Klebe, G.; Weiss, M.S.: Frag4Lead: Growing crystallographic fragment hits by catalog using fragment-guided template docking. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 1168-1182
doi: 10.1107/s2059798321008196

Banas, A.M.; Bocian-Ostrzycka, K.M.; Dunin-Horkawicz, S.; Ludwiczak, J.; Wilk, P.; Orlikowska, M.; Wyszynska, A.; D¿browska, M.; Plichta, M.; Spodzieja, M.; Polanska, M.A.; Malinowska, A.; Jagusztyn-Krynicka, E.K.: Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis. , International Journal of Molecular Sciences 22 (2021), p. 13451/1-37
doi: 10.3390/ijms222413451

Chlastáková, A.; Kotál, J.; Beránková, Z.; áková, B.; Langhansová, H.; Prudnikova, T.; Ederová, M.; Kutá Smatanová, I.; Kotsyfakis, M.: Iripin-3, a New Salivary Protein Isolated From Ixodes ricinus Ticks, Displays Immunomodulatory and Anti-Hemostatic Properties In Vitro. , Frontiers in Immunology 12 (2021), p. 626200/1-20
doi: 10.3389/fimmu.2021.626200

Smola, M.; Gutten, O.; Dejmek, M.; Kozisek, M.; Evangelidis, T.; Tehrani, Z.A.; Novotna, B.; Nencka, R.; Birkus, G.; Rulisek, L.; Boura, E.: Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein. , Angewandte Chemie - International Edition 60 (2021), p. 10172-10178
doi: 10.1002/anie.202016805

Absmeier, E.; Vester, K.; Ghane, T.; Burakovskiy, D.; Milon, P.; Imhof, P.; Rodnina, M.V.; Santos, K.F.; Wahl, M.C.: Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2. , Journal of Biological Chemistry 297 (2021), p. 100829/1-19
doi: 10.1016/j.jbc.2021.100829

Kuchar, M.; Kosztyu, P.; Daniel Liskova, V.; Cerny, J.; Petrokova, H.; Vroblova, E.; Maly, M.; Vankova, L.; Krupka, M.; Raskova Kafkova, L.; Turanek Knotigova, P.; Duskova, J.; Dohnalek, J.; Masek, J.; Turanek, J.; Raska, M.; Maly, P.: Myomedin scaffold variants targeted to 10E8 HIV-1 broadly neutralizing antibody mimic gp41 epitope and elicit HIV-1 virus-neutralizing sera in mice. , Virulence 12 (2021), p. 1271-1287
doi: 10.1080/21505594.2021.1920251

Reif, A.; Lam, K.; Weidler, S.; Lott, M.; Boos, I.; Lokau, J.; Bretscher, C.; Mönnich, M.; Perkams, L.; Schmälzlein, M.; Graf, C.; Fischer, J.P.; Lechner, C.; Hallstein, K.; Becker, S.; Weyand, M.; Steegborn, C.; Schultheiss, G.; Rose-John, S.; Garbers, C.; Unverzagt, C.: Natural Glycoforms of Human Interleukin 6 Show Atypical Plasma Clearance. , Angewandte Chemie - International Edition 60 (2021), p. 13380-13387
doi: 10.1002/anie.202101496

Garg, A.; Roske, Y.; Yamada, S.; Uehata, T.; Takeuchi, O.; Heinemann, U.: PIN and CCCH Zn-finger domains coordinate RNA targeting in ZC3H12 family endoribonucleases. , Nucleic Acids Research 49 (2021), p. 5369-5381
doi: 10.1093/nar/gkab316

Heidler, T.V.; Ernits, K.; Ziolkowska, A.; Claesson, R.; Persson, K.: Porphyromonas gingivalis fimbrial protein Mfa5 contains a von Willebrand factor domain and an intramolecular isopeptide. , Communications Biology 4 (2021), p. 106/1-9
doi: 10.1038/s42003-020-01621-w

Ganichkin, O.M.; Vancraenenbroeck, R.; Rosenblum, G.; Hofmann, H.; Mikhailov, A.S.; Daumke, O.; Noel, J.K.: Quantification and demonstration of the collective constriction-by-ratchet mechanism in the dynamin molecular motor. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 118 (2021), p. e2101144118/1-11
doi: 10.1073/pnas.2101144118

Kamdem, N.; Roske, Y.; Kovalskyy, D.; Platonov, M.O.; Balinskyi, O.M.; Kreuchwig, A.; Saupe, J.; Fang, L.; Diehl, A.; Schmieder, P.; Krause, G.; Rademann, J.; Heinemann, U.; Birchmeier, W.; Oschkinat, H.: Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling. , Magnetic Resonance 2 (2021), p. 355–374
doi: 10.5194/mr-2-355-2021

Linhares, N.D.; Wilk, P.; Wator, E.; Tostes, M.A.; Weiss, M.S.; Pena, S.D. J.: Structural analysis of new compound heterozygous variants in PEPD gene identified in a patient with Prolidase Deficiency diagnosed by exome sequencing. , Genetics and Molecular Biology 44 (2021), p. e20200393/1-12
doi: 10.1590/1678-4685-gmb-2020-0393

Mazur, A.; Grinkevich, P.; Chaloupkova, R.; Havlickova, P.; Kascakova, B.; Kuty, M.; Damborsky, J.; Kuta Smatanova, I.; Prudnikova, T.: Structural Analysis of the Ancestral Haloalkane Dehalogenase AncLinB-DmbA. , International Journal of Molecular Sciences 22 (2021), p. 11992/1-14
doi: 10.3390/ijms222111992

Kascakova, B.; Kotal, J.; Martins, A.L.; Berankova, Z.; Langhansova, H.; Calvo, E.; Crossley, A.J.; Havlickova, P.; Dycka, F.; Prudnikova, T.; Kuty, M.; Kotsyfakis, M.; Chmelar, J.; Kuta Smatanova, I.: Structural and biochemical characterization of the novel serpin Iripin-5 from Ixodes Ricinus. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 1183-1196
doi: 10.1107/S2059798321007920

Kumar, M.; Padala, P.; Fahoum, J.; Hassouna, F.; Tsaban, T.; Zoltsman, G.; Banerjee, S.; Cohen-Kfir, E.; Dessau, M.; Rosenzweig, R.; Isupov, M.N.; Schueler-Furman, O.; Wiener, R.: Structural basis for UFM1 transfer from UBA5 to UFC1. , Nature Communications 12 (2021), p. 5708/1-13
doi: 10.1038/s41467-021-25994-6

Hussein, R.; Ibrahim, M.; Bhowmick, A.; Simon, P.S.; Chatterjee, R.; Lassalle, L.; Doyle, M.; Bogacz, I.; Kim, I.S.; Cheah, M.H.; Gul, S.; de Lichtenberg, C.; Chernev, P.; Pham, C.C.; Young, I.D.; Carbajo, S.; Fuller, F.D.; Alonso-Mori, R.; Batyuk, A.; Sutherlin, K.D.; Brewster, A.S.; Bolotovsky, R.; Mendez, D.; Holton, J.M.; Moriarty, N.W.; Adams, P.D.; Bergmann, U.; Sauter, N.K.; Dobbek, H.; Messinger, J.; Zouni, A.; Kern, J.; Yachandra, V.K.; Yano, J.: Structural dynamics in the water and proton channels of photosystem II during the S2 to S3 transition. , Nature Communications 12 (2021), p. 6531/1-16
doi: 10.1038/s41467-021-26781-z

Soltysova, M.; Sieglova, I.; Fabry, M.; Brynda, J.; Skerlova, J.; Rezacova, P.: Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 1411-1424
doi: 10.1107/s2059798321009633

Warminski, M.; Kowalska, J.; Nowak, E.; Kubacka, D.; Tibble, R.; Kasprzyk, R.; Sikorski, P.J.; Gross, J.D.; Nowotny, M.; Jemielity, J.: Structural Insights into the Interaction of Clinically Relevant Phosphorothioate mRNA Cap Analogs with Translation Initiation Factor 4E Reveal Stabilization via Electrostatic Thio-Effect. , ACS Chemical Biology 16 (2021), p. 334-343
doi: 10.1021/acschembio.0c00864

Blersch, K.F.; Burchert, J.P.; August, S.C.; Welp, L.; Neumann, P.; Koster, S.; Urlaub, H.; Ficner, R.: Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA. , RNA Biology 18 (2021), p. 2466-2479
doi: 10.1080/15476286.2021.1925477

Bauder, M.; Meyners, C.; Purder, P.L.; Merz, S.; Sugiarto, W.O.; Voll, A.M.; Heymann, T.; Hausch, F.: Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. , Journal of Medicinal Chemistry 64 (2021), p. 3320–3349
doi: 10.1021/acs.jmedchem.0c02195

Pfahler, Julian: Strukturelle und funktionelle Untersuchungen der humanen Proteine DBC1, PARP1 und Sirt1 sowie ihrer Interaktionen. , Universität Bayreuth, 2021

Mantoni, F.; Scribani Rossi, C.; Paiardini, A.; Di Matteo, A.; Cappellacci, L.; Petrelli, R.; Ricciutelli, M.; Paone, A.; Cutruzzola, F.; Giardina, G.; Rinaldo, S.: Studying GGDEF Domain in the Act: Minimize Conformational Frustration to Prevent Artefacts. , Life (Basel) 11 (2021), p. 31/1-13
doi: 10.3390/life11010031

Scaletti, E.; Huschmann, F.U.; Mueller, U.; Weiss, M.S.; Straeter, N.: Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives. , Purinergic Signalling 17 (2021), p. 693–704
doi: 10.1007/s11302-021-09802-w

Dalwani, S.; Lampela, O.; Leprovost, P.; Schmitz, W.; Juffer, A.H.; Wierenga, R.K.; Venkatesan, R.: Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. , Journal of Structural Biology 213 (2021), p. 107776-107776
doi: 10.1016/j.jsb.2021.107776

Reiberger, R.; Radilová, K.; Kral, M.; Zima, V.; Majer, P.; Brynda, J.; Dracínsky, M.; Konvalinka, J.; Kozisek, M.; Machara, A.: Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors. , International Journal of Molecular Sciences 22 (2021), p. 7735/1-28
doi: 10.3390/ijms22147735

Huhmann, S.; Nyakatura, E.K.; Rohrhofer, A.; Moschner, J.; Schmidt, B.; Eichler, J.; Roth, C.; Koksch, B.: Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection. , ChemBioChem 22 (2021), p. 3443-3451
doi: 10.1002/cbic.202100417

Osorio-Valeriano, M.; Altegoer, F.; Das, C.K.; Steinchen, W.; Panis, G.; Connolley, L.; Giacomelli, G.; Feddersen, H.; Corrales-Guerrero, L.; Giammarinaro, P.I.; Hanssmann, J.; Bramkamp, M.; Viollier, P.H.; Murray, S.; Schafer, L.V.; Bange, G.; Thanbichler, M.: The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes. , Molecular Cell 81 (2021), p. 3992/1-27
doi: 10.1016/j.molcel.2021.09.004

Hjorleifsson, J.G.; Helland, R.; Magnusdottir, M.; Asgeirsson, B.: The high catalytic rate of the cold-active Vibrio alkaline phosphatase requires a hydrogen bonding network involving a large interface loop. , FEBS Open Bio 11 (2021), p. 173-184
doi: 10.1002/2211-5463.13041

Werner, N.; Werten, S.; Hoppen, J.; Palm, G.J.; Göttfert, M.; Hinrichs, W.: The induction mechanism of the flavonoid-responsive regulator FrrA. , FEBS Journal 289 (2021), p. 507-518
doi: 10.1111/febs.16141

Schmidt, T.G.M.; Eichinger, A.; Schneider, M.; Bonet, L.; Carl, U.; Karthaus, D.; Theobald, I.; Skerra, A.: The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide. , Journal of Molecular Biology : jmb 433 (2021), p. 166893/1-20
doi: 10.1016/j.jmb.2021.166893

Andrii Mazur, A.; Prudnikova, T.; Grinkevich, P.; Mesters, R.J.; Mrazova, D.; Chaloupkova, R.; Damborsky, J.; Kuty, M.; Kolenko, P.; Ivana Kuta Smatanova, I.: The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 347-356
doi: 10.1107/S2059798321000486

Fitzian, K.; Brückner, A.; Brohée, L.; Zech, R.; Antoni, C.; Kiontke, S.; Gasper, R.; Linard Matos, A.L.; Beel, S.; Wilhelm, S.; Gerke, V.; Ungermann, C.; Nellist, M.; Raunser, S.; Demetriades, C.; Oeckinghaus, A.; Kümmel, D.: TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation. , Molecular Cell 81 (2021), p. 2705-2721.e8
doi: 10.1016/j.molcel.2021.04.019

Nikolaivits, E.; Pentari, C.; Kosinas, C.; Feiler, C.G.; Spiliopoulou, M.; Weiss, M.S.; Dimarogona, M.; Topakas, E.: Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies. , Carbohydrate Polymers 273 (2021), p. 118553/1-10
doi: 10.1016/j.carbpol.2021.118553

Peters, A.; Herrmann, E.; Cornelissen, N.V.; Klöcker, N.; Kümmel, D.; Rentmeister, A.: Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. , ChemBioChem 23 (2021), p. e202100437/1-8
doi: 10.1002/cbic.202100437

Scheithauer, L.; Thiem, S.; Schmelz, S.; Dellmann, A.; Bussow, K.; Brouwer, R.M.H.J.; Ünal, C.M.; Blankenfeldt, W.; Steinert, M.: Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation. , Cellular Microbiology 23 (2021), p. e13313/1-15
doi: 10.1111/cmi.13313

2020

Bhattarai, S.; Pippel, J.; Scaletti, E.R.; Idris, R.; Freundlieb, M.; Rolshoven, G.; Renn, C.; Lee, S.Y.; Abdelrahman, A.; Zimmermann, H.; El-Tayeb, A.; Müller, C.E.; Sträter, N.: 2-Substituted α,β Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. , Journal of Medicinal Chemistry 63 (2020), p. 2941-2957
doi: 10.1021/acs.jmedchem.9b01611

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.: A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. , Journal of Medicinal Chemistry 63 (2020), p. 14626-14646
doi: 10.1021/acs.jmedchem.0c01174

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.: A secreted LysM effector protects fungal hyphae through chitin-dependent homodimer polymerization. , PLoS Pathogens 16 (2020), p. e1008652/1-21
doi: 10.1371/journal.ppat.1008652

Sommer, C.A.; Eichinger, A.; Skerra, A.: A Tetrahedral Boronic Acid Diester Formed by an Unnatural Amino Acid in the Ligand Pocket of an Engineered Lipocalin. , ChemBioChem 21 (2020), p. 469-472
doi: 10.1002/cbic.201900405

Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Zelencova, D.; Jekabsons, A.; Jaudzems, K.; Tars, K.: 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. , Biochimica et Biophysica Acta - General Subjects 1864 (2020), p. 129499/1-
doi: 10.1016/j.bbagen.2019.129499

Mortier, J.; Friberg, A.; Badock, V.; Moosmayer, D.; Schroeder, J.; Steigemann, P.; Siegel, F.; Gradl, S.; Bauser, M.; Hillig, R.C.; Briem, H.; Eis, K.; Bader, B.; Nguyen, D.; Christ, C.D.: Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. , ChemMedChem 15 (2020), p. 827-832
doi: 10.1002/cmdc.201900727

Landova, B.; Silhan, J.: Conformational changes of DNA repair glycosylase MutM triggered by DNA binding. , FEBS Letters 594 (2020), p. 3032-3044
doi: 10.1002/1873-3468.13876

Linder, J.; Hupfeld, E.; Weyand, M.; Steegborn, C.; Moniot, S.: Crystal structure of a class III adenylyl cyclase-like ATP-binding protein from Pseudomonas aeruginosa. , Journal of Structural Biology 211 (2020), p. 107534/1-5
doi: 10.1016/j.jsb.2020.107534

D'Andrea, E.D.; Roske, Y.; Oliveira, G.A.P.; Cremer, N.; Diehl, A.; Schmieder, P.; Heinemann, U.; Oschkinat, H.; Pires, J.R.: Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi. , Journal of Structural Biology 211 (2020), p. 107536/1-12
doi: 10.1016/j.jsb.2020.107536

Ries, L.K.; Liess, A.K.L.; Feiler, C.G.; Spratt, D.E.; Lowe, E.D.; Lorenz, S.: Crystal structure of the catalytic C-lobe of the HECT-type ubiquitin ligase E6AP. , Protein Science 29 (2020), p. 1550-1554
doi: 10.1002/pro.3832

Bahat, Y.; Alter, J.; Dessau, M.: Crystal structure of tomato spotted wilt virus G N reveals a dimer complex formation and evolutionary link to animal-infecting viruses. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 117 (2020), p. 26237
doi: 10.1073/pnas.2004657117

Lekontseva, N.; Mikhailina, A.; Fando, M.; Kravchenko, O.; Balobanov, V.; Tishchenko, S.; Nikulin, A.: Crystal structures and RNA-binding properties of Lsm proteins from archaea Sulfolobus acidocaldarius and Methanococcus vannielii: Similarity and difference of the U-binding mode. , Biochimie 175 (2020), p. 1-12
doi: 10.1016/j.biochi.2020.05.001

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.: Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. , Journal of Medicinal Chemistry 63 (2020), p. 12574-12594
doi: 10.1021/acs.jmedchem.0c01035

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.: Development of a chemical probe against NUDT15. , Nature Chemical Biology 16 (2020), p. 1120-1128
doi: 10.1038/s41589-020-0592-z

Schröder, M.; Bullock, A.N.; Fedorov, O.; Bracher, F.; Chaikuad, A.; Knapp, S.: DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. , Journal of Medicinal Chemistry 63 (2020), p. 10224-10234
doi: 10.1021/acs.jmedchem.0c00898

Lawson, K.; 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.; Moschuetz, S.; Scaletti, E.; Straeter, N.; Walker, N.P.; Young, S.W.; Walters, M.J.; Schindler, U.; Powers, Ja.P.: Discovery of AB680: A Potent and Selective Inhibitor of CD73. , Journal of Medicinal Chemistry 63 (2020), p. 11448–11468
doi: 10.1021/acs.jmedchem.0c00525

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.: Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis. , Journal of Medicinal Chemistry 63 (2020), p. 15527-15540
doi: 10.1021/acs.jmedchem.0c01179

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.; Moschuetz, S.; Straeter, N.; Powers, J.P.; Lawson, K.V.: Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. , Journal of Medicinal Chemistry 63 (2020), p. 3935-3955
doi: 10.1021/acs.jmedchem.9b01713

Grunwald, S.; Hopf, L.V.M.; Bock-Bierbaum, T.; Lally, C.C.M.; Spahn, C.M.T.; Daumke, O.: Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates. , Nature Communications 11 (2020), p. 5506-5506
doi: 10.1038/s41467-020-19321-8

Pintar, S.; Borisek, J.; Usenik, A.; Perdih, A.; Turk, D.: Domain sliding of two Staphylococcus aureus N-acetylglucosaminidases enables their substrate-binding prior to its catalysis. , Communications Biology 3 (2020), p. 178/1-9
doi: 10.1038/s42003-020-0911-7

Krause, S.; Evans, J.D.; Bon, V.; Senkovska, I.; Ehrling, S.; Iacomi, P.; Többens, D.M.; Wallacher, D.; Weiss, M.S.; Zheng, B.; Yot, P.G.; Maurin, G.; Llewellyn, P.L.; Coudert, F.X.; Kaskel, S.: Engineering micromechanics of soft porous crystals for negative gas adsorption. , Chemical Science 11 (2020), p. 9468-9479
doi: 10.1039/d0sc03727c

Zender, M.; Witzgall, F.; Kiefer, A.; Kirsch, B.; Maurer, C.K.; Kany, A.M.; Xu, N.; Schmelz, S.; Borger, C.; Blankenfeldt, W.; Empting, M.: Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence. , ChemMedChem 15 (2020), p. 188-194
doi: 10.1002/cmdc.201900621

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.: Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT. , Journal of Medicinal Chemistry 63 (2020), p. 6802-6820
doi: 10.1021/acs.jmedchem.0c00115

Hoffmann, D.; Diderrich, R.; Reithofer, V.; Friederichs, S.; Kock, M.; Essen, L.O.; Mösch, H.U.: Functional reprogramming of Candida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding. , Journal of Biological Chemistry 295 (2020), p. 12512-12524
doi: 10.1074/jbc.RA120.013968

Wator, E.; Wilk, P.; Grudnik, P.: Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. , Biomolecules 10 (2020), p. 522/1-17
doi: 10.3390/biom10040522

Zaksauskas, A.; Capkauskaite, E.; Jezepcikas, L.; Linkuviene, V.; Paketuryte, V.; Smirnov, A.; Leitans, J.; Kazaks, A.; Dvinskis, E.; Manakova, E.; Grazulis, S.; Tars, K.; Matulis, D.: Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. , European Journal of Medicinal Chemistry 185 (2020), p. 111825/1-21
doi: 10.1016/j.ejmech.2019.111825

Kappenberger, J.; Koelmel, W.; Schoenwetter, E.; Scheuer, T.; Woerner, J.; Kuper, J.; Kisker, C.: How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH. , Nucleic Acids Research 48 (2020), p. 12282-12296
doi: 10.1093/nar/gkaa911

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.: Insulin polymorphism induced by two polyphenols: New crystal forms and advances in macromolecular powder diffraction. , Acta Crystallographica Section D - Structural biology 76 (2020), p. 1065-1079
doi: 10.1107/s205979832001195X

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.: Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions. , Accounts of Chemical Research 11 (2020), p. 1791-1800
doi: 10.1021/acschemneuro.0c00195

Dudutiene, V.; Zubriene, A.; Kairys, V.; Smirnov, A.; Smirnoviene, J.; Leitans, J.; Kazaks, A.; Tars, K.; Manakova, L.; Grazulis, S.; Matulis, D.: Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. , Biophysical Journal 119 (2020), p. 1513-1524
doi: 10.1016/j.bpj.2020.08.037

Brückner, S.; Schubert, R.; Kraushaar, T.; Hartmann, R.; Hoffmann, D.; Jelli, E.; Drescher, K.; Müller, D.J.; Oliver Essen, L.; Mösch, H.U.: Kin discrimination in social yeast is mediated by cell surface receptors of the Flo11 adhesin family. , eLife 9 (2020), p. e55587/1-26
doi: 10.7554/eLife.55587

Horstmann, J.A.; Lunelli, M.; Cazzola, H.; Heidemann, J.; Kühne, C.; Steffen, P.; Szefs, S.; Rossi, C.; Lokareddy, R.K.; Wang, C.; Lemaire, L.; Hughes, K.T.; Uetrecht, C.; Schlüter, H.; Grassl, G.A.; Stradal, T.E.B.; Rossez, Y.; Kolbe, M.; Erhardt, M.: Methylation of Salmonella Typhimurium flagella promotes bacterial adhesion and host cell invasion. , Nature Communications 11 (2020), p. 2013/1-11
doi: 10.1038/s41467-020-15738-3

Selikhanov, G.; Fufina, T.; Vasilieva, L.; Betzel, C.; Gabdulkhakov, A.: Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center. , IUCrJ 7 (2020), p. 1084-1091
doi: 10.1107/S2052252520012142

Kisiala, M.; Kowalska, M.; Pastor, M.; Korza, H.J.; Czapinska, H.; Bochtler, M.: Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation. , Nucleic Acids Research 48 (2020), p. 6954-6969
doi: 10.1093/nar/gkaa403

Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Jekabsons, A.; Jaudzems, K.; Viksna, A.; Bertins, M.; Tars, K.: Structural analysis of Borrelia burgdorferi periplasmic lipoprotein BB0365 involved in Lyme disease infection. , FEBS Letters 594 (2020), p. 317-326
doi: 10.1002/1873-3468.13594

Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Tars, K.: 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. , Journal of Structural Biology 210 (2020), p. 107490/1-11
doi: 10.1016/j.jsb.2020.107490

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.: Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action. , Macroheterocycles = Макрогет 12 (2020), p. e1801230/1-17
doi: 10.1080/19420862.2020.1801230

Ströh, L.J.; Rustmeier, N.H.; Blaum, B.S.; Botsch, J.; Rossler, P.; Wedekink, F.; Lipkin, W.I.; Mishra, N.; Stehle, T.: Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. , mBio 11 (2020), p. 107328/1-21
doi: 10.1128/mBio.00745-20

Smola, M.; Horova, V.; Boura, E.; Klima, M.: Structural basis for hijacking of the host ACBD3 protein by bovine and porcine enteroviruses and kobuviruses. , Archives of Virology 165 (2020), p. 355-366
doi: 10.1007/s00705-019-04490-9

Friberg, A.; Rehwinkel, H.; Nguyen, D.; Putter, V.; Quanz, M.; Weiske, J.; Eberspacher, U.; Heisler, I.; Langer, G.: Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A. , ACS Omega 5 (2020), p. 13034-13041
doi: 10.1021/acsomega.0c00715

Leiros, H.KS.; Thomassen, A.M.; Samuelsen, Ø.; Flach, C.F.; Kotsakis, S.D.; Larsson, D.G.J.: Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10. , FEBS Open Bio 10 (2020), p. 1821–1832
doi: 10.1002/2211-5463.12935

Mazurkewich, S.; Helland, R.; Mackenzie, A.; Eijsink, V.G.H.; Pope, P.B.; Branden, G.; Larsbrink, J.: Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae. , Scientific Reports 10 (2020), p. 13775/1-11
doi: 10.1038/s41598-020-70749-w

Szabo, Eszter: Structure analysis of pathogenic mutants of human dihydrolipoamide dehydrogenase = A humán dihidrolipoamid-dehidrogenáz patogén mutánsainak szerkezetanalízise. , Semmelweis University, Budapest, Hungary, 2020

Chouhan, O.P.; Roske, Y.; Heinemann, U.; Biswas, S.: Structure of the active GGEEF domain of a diguanylate cyclase from Vibrio cholerae. , Biochemical and Biophysical Research Communications 523 (2020), p. 287-292
doi: 10.1016/j.bbrc.2019.11.179

Mietrach, N.; Damian-Aparicio, D.; Mielich-Suss, B.; Lopez, D.; Geibel, S.: Substrate Interaction with the EssC Coupling Protein of the Type VIIb Secretion System. , Journal of Bacteriology 202 (2020), p. e00646-19/1-14
doi: 10.1128/JB.00646-19

Scaletti, E.; Claesson, M.; Helleday, T.; Jemth, A.S.; Stenmark, P.: The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products. , Journal of Molecular Biology : jmb 432 (2020), p. 1126-1142
doi: 10.1016/j.jmb.2020.01.005

Feiler, C.G.; Weiss, M.S.; Blankenfeldt, W.: The hypothetical periplasmic protein PA1624 from Pseudomonas aeruginosa folds into a unique two-domain structure. , Acta Crystallographica Section F - Structural Biology Communications 76 (2020), p. 609-615
doi: 10.1107/s2053230x20014612

Juettner, N.E.; Schmelz, S.; Anderl, A.; Colin, F.; Classen, M.; Pfeifer, F.; Scrima, A.; Fuchsbauer, H.L.: The N-terminal peptide of the transglutaminase-activating metalloprotease inhibitor from Streptomyces mobaraensis accommodates both inhibition and glutamine cross-linking sites. , FEBS Journal 287 (2020), p. 708-720
doi: 10.1111/febs.15044

Benvenuti, M.; Meneghello, M.; Guendon, C.; Jacq-Bailly, A.; Jeoung, J.H.; Dobbek, H.; Leger, C.; Fourmond, V.; Dementin, S.: The two CO-dehydrogenases of Thermococcus sp. AM4. , Biochimica et Biophysica Acta - Bioenergetics 1861 (2020), p. 148188/1-12
doi: 10.1016/j.bbabio.2020.148188

Rümnieks, J.; Lieknina, I.; Kalnins, G.; Sisovs, M.; Akopjana, I.; Bogans, J.; Tars, K.: Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes. , Science Advances 6 (2020), p. eabc0023/1-10
doi: 10.1126/sciadv.abc0023

Liess, Anna Katharina Luise: Understanding the regulation of the ubiquitin-conjugating enzyme UBE2S. , Diss., Würzburg, Universität Würzburg, 2020

Eistrikh-Geller, P.A.; Rubinsky, S.V.; Prokofev, I.I.; Gabdoulkhakov, A.G.; Mironov, A.S.; Lashkov, A.A.: X-Ray Structure and Molecular Dynamics Study of Uridine Phosphorylase from Vibrio cholerae in Complex with 2,2'-Anhydrouridine. , Crystallography Reports 65 (2020), p. 269-277
doi: 10.1134/S1063774520020066

2019

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.; Möglich, A.: A blue light receptor that mediates RNA binding and translational regulation. , Nature Chemical Biology 15 (2019), p. 1085-1092
doi: 10.1038/s41589-019-0346-y

Schaefer, M.; Buchmueller, A.; Dittmer, F.; Straßburger, J.; Wilmen, A.: Allosteric Inhibition as a New Mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated Form of Coagulation Factor XI. , Journal of Molecular Biology : jmb 431 (2019), p. 4817-4833
doi: 10.1016/j.jmb.2019.09.008

Kumpula, E.P.; Lopez, A.J.; Tajedin, L.; Han, H.; Kursula, I.: Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. , PLoS Biology 17 (2019), p. e3000315/1-28
doi: 10.1371/journal.pbio.3000315

Adolph, Ramona S.: Biochemical and structural characterization of the regulation of human Sirtuin 1 by small molecules and proteins. , Bayreuth, Universität, Bachelor, 2019

Wosicki, S.; Gilski, M.; Zabranska, H.; Pichova, I.; Jaskolski, M.: Comparison of a retroviral protease in monomeric and dimeric states. , Acta Crystallographica Section D - Structural biology 75 (2019), p. 904-917
doi: 10.1107/S2059798319011355

Müller, J.; Kirschner, R.; Geyer, A.; Klebe, G.: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage. , ACS Omega 4 (2019), p. 775–784
doi: 10.1021/acsomega.8b02364

Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Tars, K.: Crystal structure of Borrelia burgdorferi outer surface protein BBA69 in comparison to the paralogous protein CspA. , Ticks and Tick-borne Diseases 10 (2019), p. 1135-1141
doi: 10.1016/j.ttbdis.2019.06.009

Zak, K.M.; Kalinska, M.; Wator, E.; Kuska, K.; Krutyholowa, R.; Dubin, G.; Popowicz, G.M.; Grudnik, P.: Crystal Structure of Kluyveromyces lactis Glucokinase (KlGlk1). , International Journal of Molecular Sciences 20 (2019), p. 4821/1-10
doi: 10.3390/ijms20194821

Slyvka, A.; Zagorskaite, E.; Czapinska, H.; Sasnauskas, G.; Bochtler, M.: Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping. , Nucleic Acids Research 47 (2019), p. 11943-11955
doi: 10.1093/nar/gkz1017

Brangulis, K.; Akopjana, I.; Kazaks, A.; Tars, K.: Crystal structure of the N-terminal domain of the major virulence factor BB0323 from the Lyme disease agent Borrelia burgdorferi. , Acta Crystallographica Section D - Structural biology 75 (2019), p. 825-830
doi: 10.1107/S2059798319010751

Grzechowiak, M.; Ruszkowski, M.; Sliwiak, J.; Szpotkowski, K.; Sikorski, M.; Jaskolski, M.: Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity. , Biochemical Journal 476 (2019), p. 2297-2319
doi: 10.1042/BCJ20190427

Prudnikova, T.; Kascakova, B.; Mesters, J.R.; Grinkevich, P.; Havlickova, P.; Mazur, A.; Shaposhnikova, A.; Chaloupkova, R.; Damborsky, J.; Kuty, M.; Smatanova, I.K.: Crystallization and Crystallographic Analysis of a Bradyrhizobium Elkanii USDA94 Haloalkane Dehalogenase Variant with an Eliminated Halide-Binding Site. , Crystals (Basel) 9 (2019), p. 375/1-12
doi: 10.3390/cryst9070375

Fudim, R.; Szczepek, M.; Vierock, J.; Vogt, A.; Schmidt, A.; Kleinau, G.; Fischer, P.; Bartl, F.; Scheerer, P.; Hegemann, P.: Design of a light-gated proton channel based on the crystal structure of Coccomyxa rhodopsin. , Science Signaling 12 (2019), p. eaav4203/1-12
doi: 10.1126/scisignal.aav4203

Werner, S.; Mesch, S.; Hillig, R.C.; Ter Laak, A.; Klint, J.; Neagoe, I.; Laux-Biehlmann, A.; Dahllof, H.; Brauer, N.; Puetter, V.; Nubbemeyer, R.; Schulz, S.; Bairlein, M.; Zollner, T.M.; Steinmeyer, A.: 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. , Journal of Medicinal Chemistry 62 (2019), p. 11194-11217
doi: 10.1021/acs.jmedchem.9b01304

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.: Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors. , ChemMedChem 14 (2019), p. 169-181
doi: 10.1002/cmdc.201800569

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.: Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 116 (2019), p. 2551-2560
doi: 10.1073/pnas.1812963116

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.: E3 ubiquitin-protein ligase TRIM21-mediated lysine capture by UBE2E1 reveals substrate-targeting mode of a ubiquitin-conjugating E2. , Journal of Biological Chemistry 294 (2019), p. 11404-11419
doi: 10.1074/jbc.RA119.008485

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.: Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. , Neuron 101 (2019), p. 673-689
doi: 10.1016/j.neuron.2019.01.001

Gurung, M.K.; Altermark, B.; Helland, R.; Smalas, A.O.; Raeder, I.L.U.: Features and structure of a cold active N-acetylneuraminate lyase. , PLoS One 14 (2019), p. e0217713/1-27
doi: 10.1371/journal.pone.0217713

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.: FIP200 Claw Domain Binding to p62 Promotes Autophagosome Formation at Ubiquitin Condensates. , Molecular Cell 74 (2019), p. 330-346
doi: 10.1016/j.molcel.2019.01.035

Ries, Lena Kerstin: From recognition to reaction : Mechanistic analysis of the interactions of the HECT ligase E6AP with ubiquitin. , Würzburg, Universität Würzburg, Diss., 2019

Siemeister, G.; Mengel, A.; Fernandez-Montalvan, A.E.; Bone, W.; Schröder, J.; Zitzmann-Kolbe, S.; Briem, H.; Prechtl, S.; Holton, S.J.; Mönning, U.; von Ahsen, O.; Johanssen, S.; Cleve, A.; Putter, V.; Hitchcock, M.; von Nussbaum, F.; Brands, M.; Ziegelbauer, K.; Mumberg, D.: Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo. , Clinical Cancer Research 25 (2019), p. 1404-1414
doi: 10.1158/1078-0432.CCR-18-0628

Wagner, A.; Le, T.A.; Brennich, M.; Klein, P.; Bader, N.; Diehl, E.; Paszek, D.; Weickhmann, A.K.; Dirdjaja, N.; Krauth-Siegel, R.L.; Engels, B.; Opatz, T.; Schindelin, H.; Hellmich, U.A.: Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. , Angewandte Chemie 58 (2019), p. 3640-3644
doi: 10.1002/anie.201810470

Ruggieri, F.; Campillo-Brocal, J.C.; Chen, S.; Humble, M.S.; Walse, B.; Logan, D.T.; Berglund, P.: Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase. , Scientific Reports 9 (2019), p. 16946/1-15
doi: 10.1038/s41598-019-53177-3

Gabdulkhakov, A.; Kolyadenko, I.; Kostareva, O.; Mikhaylina, A.; Oliveira, P.; Tamagnini, P.; Lisov, A.; Tishchenko, S.: Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase from Streptomyces griseoflavus Ac-993. , International Journal of Molecular Sciences 20 (2019), p. 3184/1-13
doi: 10.3390/ijms20133184

Nishimura, K.; Dioguardi, E.; Nishio, S.; Villa, A.; Han, L.; Matsuda, T.; Jovine, L.: Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility. , Nature Communications 10 (2019), p. 3086/1-15
doi: 10.1038/s41467-019-10931-5

Badran, M.J.; Bertoletti, N.; Keils, A.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.: Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14. , Journal of Steroid Biochemistry and Molecular Biology 189 (2019), p. 135-144
doi: 10.1016/j.jsbmb.2019.02.009

Kudryakova, I.V.; Gabdulkhakov, A.G.; Tishchenko, S.V.; Afoshin, A.S.; Vasilyeva, N.V.: Serine bacteriolytic protease L1 of Lysobacter sp. XL1 complexed with protease inhibitor AEBSF: features of interaction. , Process Biochemistry 80 (2019), p. 89-94
doi: 10.1016/j.procbio.2019.02.013

You, W.; Zheng, W.; Weiss, S.; Chua, K.; Steegborn, C.: Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives. , Scientific Reports 9 (2019)
doi: 10.1038/s41598-019-55654-1

Ge, C.; Xu, B.; Liang, B.; Lonnblom, E.; Lundstrom, S.L.; Zubarev, R.A.; Ayoglu, B.; Skogh, T.; Kastbom, A.; Malmstrom, V.; Klareskog, L.; Toes, R.E.M.; Rispens, T.; Dobritzsch, D.; Holmdahl, R.: Structural basis of cross-reactivity of anti-citrullinated protein antibodies. , Arthritis & Rheumatology 71 (2019), p. 210-221
doi: 10.1002/art.40698

Laitans, Janis: Structural investigations of carbonic anhydrases for design of specific inhibitors = Ogļskābes anhidrāžu strukturālie pētījumi specifisku inhibitoru dizainam. , Riga, Latvijas Universitāte, thesis, 2019

Faelber, K.; Dietrich, L.; Noel, J.K.; Wollweber, F.; Pfitzner, A.K.; Muhleip, A.; Sanchez, R.; Kudryashev, M.; Chiaruttini, N.; Lilie, H.; Schlegel, J.; Rosenbaum, E.; Hessenberger, M.; Matthaeus, C.; Kunz, S.; von der Malsburg, A.; Noe, F.; Roux, A.; van der Laan, M.; Kuhlbrandt, W.; Daumke, O.: Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. , Nature 571 (2019), p. 429-433
doi: 10.1038/s41586-019-1372-3

Dubankova, A.; Horova, V.; Klima, M.; Boura, E.: Structures of kobuviral and siciniviral polymerases reveal conserved mechanism of picornaviral polymerase activation. , Journal of Structural Biology 208 (2019), p. 92-98
doi: 10.1016/j.jsb.2019.08.004

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.: Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 116 (2019), p. 5055-5060
doi: 10.1073/pnas.1807656116

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.: Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. , Bioorganic & Medicinal Chemistry Letters 29 (2019), p. 646-653
doi: 10.1016/j.bmcl.2018.12.034

Halsor, M.J.H.; Rothweiler, U.; Altermark, B.; Raeder, I.L.U.: The crystal structure of the N-acetylglucosamine 2-epimerase from Nostoc sp. KVJ10 reveals the true dimer. , Acta Crystallographica Section D - Structural biology 75 (2019), p. 90-100
doi: 10.1107/S2059798318017047

Kleiner, D.; Shmulevich, F.; Zarivach, R.; Shahar, A.; Sharon, M.; Ben-Nissan, G.; Bershtein, S.: The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase. , Journal of Molecular Biology : jmb 431 (2019), p. 4796-4816
doi: 10.1016/j.jmb.2019.09.003

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.: The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies. , Leukemia 33 (2019), p. 2403–2415
doi: 10.1038/s41375-019-0461-5

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.: The structure and function of Iristatin, a novel immunosuppressive tick salivary cystatin. , Cellular and Molecular Lilfe Sciences 76 (2019), p. 2003-2013
doi: 10.1007/s00018-019-03034-3

Adam, S.; Klein, A.; Surup, F.; Koehnke, J.: The structure of CgnJ, a domain of unknown function protein from the crocagin gene cluster. , Acta Crystallographica Section F - Structural Biology Communications 75 (2019), p. 205-211
doi: 10.1107/S2053230X19000712

Nikonov, O.; Kravchenko, O.; Nevskaya, N.; Stolboushkina, E.; Garber, M.; Nikonov, S.: 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. , Acta Crystallographica Section D - Structural biology 75 (2019), p. 392-399
doi: 10.1107/S2059798319002304

Broeker, N.K.; Roske, Y.; Valleriani, A.; Stephan, M.S.; Andres, D.; Koetz, J.; Heinemann, U.; Barbirz, S.: Time-resolved DNA release from an O-antigen-specificSalmonellabacteriophage with a contractile tail. , Journal of Biological Chemistry 294 (2019), p. 11751-11761
doi: 10.1074/jbc.RA119.008133

Koval, T.; Svecova, L.; Ostergaard, L.H.; Skalova, T.; Duskova, J.; Hasek, J.; Kolenko, P.; Fejfarova, K.; Stransky, J.; Trundova, M.; Dohnalek, J.: Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer. , Scientific Reports 9 (2019), p. 13700/1-13
doi: 10.1038/s41598-019-50105-3

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.: Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. , Human Molecular Genetics 28 (2019), p. 3339–3354
doi: 10.1093/hmg/ddz177

Bhattarai, S.; Pippel, J.; Meyer, A.; Freundlieb, M.; Schmies, C.; Abdelrahman, A.; Fiene, A.; Lee, S.; Zimmermann, H.; El-Tayeb, A.; Yegutkin, G.; Strater, N.; Muller, C.: X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5′-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy. , Advanced Therapeutics 2 (2019), p. 1900075/1-8
doi: 10.1002/adtp.201900075

Ilina, Y.; Lorent, C.; Katz, S.; Jeoung, J.H.; Shima, S.; Horch, M.; Zebger, I.; Dobbek, H.: X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. , Angewandte Chemie - International Edition 58 (2019), p. 18710-18714
doi: 10.1002/anie.201908258

2018

Psenakova, K.; Petrvalska, O.; Kylarova, S.; Lentini Santo, D.; Kalabova, D.; Herman, P.; Obsilova, V.; Obsil, T.: 14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2). , Biochimica et Biophysica Acta - General Subjects 1862 (2018), p. 1612-1625
doi: 10.1016/j.bbagen.2018.04.006

Karlberg, T.; Hornyak, P.; Pinto, A.F.; Milanova, S.; Ebrahimi, M.; Lindberg, M.; Püllen, N.; Nordström, A.; Löverli, E.; Caraballo, R.; Wong, E.V.; Näreoja, K.; Thorsell, A.G.; Elofsson, M.; De La Cruz, E.M.; Björkegren, C.; Schüler, H.: 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. , Nature Communications 9 (2018), p. 378/1-11
doi: 10.1038/s41467-018-06194-1

Wojtczak, B.A.; Sikorski, P.J.; Fac-Dabrowska, K.; Nowicka, A.; Warminski, M.; Kubacka, D.; Nowak, E.; Nowotny, M.; Kowalska, J.; Jemielity, J.: 5 '-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes. , Journal of the American Chemical Society 140 (2018), p. 5987-5999
doi: 10.1021/jacs.8b02597

Garg, A.; Heinemann, U.: A novel form of RNA double helix based on G·U and C·A+ wobble base pairing. , RNA 24 (2018), p. 209-218
doi: 10.1261/rna.064048.117

You, Weijin: Activation and inhibition of Sirt6 by small molecules. , Bayreuth, Universität, Diss., 2018

Telzerow, A.; Paris, J.; Hakansson, M.; Gonzalez-Sabin, J.; Rios-Lombardia, N.; Schurrmann, M.; Groger, H.; Kourist, R.; Schwab, H.; Steiner, K.: Amine Transaminase from Exophiala xenobiotica - Crystal Structure and Engineering of a Fold IV Transaminase that Naturally Converts Biaryl Ketones. , ACS Catalysis 9 (2018), p. 1140-1148
doi: 10.1021/acscatal.8b04524

Creon, A.; Josts, I.; Niebling, S.; Huse, N.; Tidow, H.: Conformation-specific detection of calmodulin binding using the unnatural amino acid p-azido-phenylalanine (AzF) as an IR-sensor. , Structural Dynamics 5 (2018), p. 064701/1-12
doi: 10.1063/1.5053466

Borchert, A.; Kalms, J.; Roth, S.; Rademacher, M.; Schmidt, A.; Holzhutter, H.; Kuhn, H.; Scheerer, P.: Crystal structure and functional characterization of selenocysteine-containing glutathione peroxidase 4 suggests an alternative mechanism of peroxide reduction. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1863 (2018), p. 1095-1107
doi: 10.1016/j.bbalip.2018.06.006

Tokarz, P.; Wisniewska, M.; Kaminski, M.; Dubin, G.; Grundnik, P.: Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii in complex with 5-iodotubercidin reveals phosphoryl transfer mechanism. , Protein Science 27 (2018), p. 790-797
doi: 10.1002/pro.3377

Gustafsson, R.; Zhang, S.; Masuyer, G.; Dong, M.; Stenmark, P.: Crystal Structure of Botulinum Neurotoxin A2 in Complex with the Human Protein Receptor SV2C Reveals Plasticity in Receptor Binding. , Toxins 10 (2018), p. 153/1-16
doi: 10.3390/toxins10040153

Pachl, P.; Skerlová, J.; Simcíková, D.; Kotik, M.; Krenková, A.; Mader, P.; Brynda, J.; Kapesová, J.; Kren, V.; Otwinowski, Z.; Rezáková, P.: Crystal structure of native -l-rhamnosidase from Aspergillus terreus. , Acta Crystallographica Section D - Structural biology 74 (2018), p. 1078-1084
doi: 10.1107/S2059798318013049

Balaev, V.V.; Prokofev, I.I.; Gabdoulkhakov, A.G.; Betzel, C; Lashkov, A.A.: Crystal structure of pyrimidine-nucleoside phosphorylase from Bacillus subtilis in complex with imidazole and sulfate. , Acta Crystallographica Section F - Structural Biology Communications 74 (2018), p. 193-197
doi: 10.1107/S2053230X18002935

Czyrko, J.; Jaskolski, M.; Brzezinski, K.: Crystal Structure of S-adenosyl-L-homocysteine Hydrolase from Cytophaga hutchinsonii, a Case of Combination of Crystallographic and Non-crystallographic Symmetry. , Croatica Chemica Acta 91 (2018), p. 153-162
doi: 10.5562/cca3345

Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Kraiczy, P.; Tars, K.: Crystal structure of the membrane attack complex assembly inhibitor BGA71 from the Lyme disease agent Borrelia bavariensis. , Scientific Reports 8 (2018), p. 11286
doi: 10.1038/s41598-018-29651-9

Schmitt, A.; Hamann, F.; Neumann, P.; Ficner, R.: Crystal structure of the spliceosomal DEAH-box ATPase Prp2. , Acta Crystallographica Section D - Structural biology 74 (2018), p. 643-654
doi: 10.1107/S2059798318006356

Narwal, M.; Jemth, A.-S.; Gustafsson, R.; Almlöf, I.; Warpman Berglund, U.; Helleday, T.; Stenmark, P.: Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. , Biochemistry 57 (2018), p. 593-603
doi: 10.1021/acs.biochem.7b01163

Schwemmlein, N.; Pippel, J.; Gazdag, E.M.; Blankenfeldt, W.: Crystal Structures of R-Type Bacteriocin Sheath and Tube Proteins CD1363 and CD1364 FromClostridium difficilein the Pre-assembled State. , Frontiers in Microbiology 9 (2018), p. 1750/1-15
doi: 10.3389/fmicb.2018.01750

Szabo, E.; Mizsei, R.; Wilk, P.; Zambo, Z.; Torocsik, B.; Weiss, M.; Adam-Vizi, V.; Ambrus, A.: Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase. , Free Radical Biology and Medicine 124 (2018), p. 214-220
doi: 10.1016/j.freeradbiomed.2018.06.008

Jurk, C; Roske, Y; Heinemann, U: Crystal structures of the single PDZ domains from GRASP65 and their interaction with the golgin GM130. , Croatica Chemica Acta 91 (2018), p. 255-264
doi: 10.5562/cca3341

Dolot, R.; Lam, C.H.; Sierant, M.; Zhao, Q.; Liu, F.W.; Nawrot, B.; Egli, M.; Yang, X.: Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity. , Nucleic Acids Research 46 (2018), p. 4819-4830
doi: 10.1093/nar/gky268

Doehler, C.; Zebisch, M.; Krinke, D.; Robitzki, A.; Straeter, N.: Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain. , Acta Crystallographica Section F - Structural Biology Communications 74 (2018), p. 696-703
doi: 10.1107/S2053230X18011111

Stefanic, Z.; Narczyk, M.; Mikleusevic, G.; Kazazic, S.; Bzowska, A.; Luic, M.: Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis. , Scientific Reports 8 (2018), p. 15427/1-13
doi: 10.1038/s41598-018-33723-1

Schmidt, K.; Gardill, B.R.; Kern, A.; Kirchweger, P.; Börsch, M.; Muller, Y.A: Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. 5744-5749
doi: 10.1073/pnas.1716666115

Williamson, A.; Grgic, M.; Leiros, H.-K.: DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases. , Nucleic Acids Research 1 (2018), p. gky622/8616–8629
doi: 10.1093/nar/gky622

Pinto, A.; El Ali, Z.; Moniot, S.; Tamborini, L.; Steegborn, C.; Foresti, R.; De Micheli, C.: Effects of 3-Bromo-4,5-dihydroisoxazole Derivatives on Nrf2 Activation and Heme Oxygenase-1 Expression. , ChemistryOpen 7 (2018), p. 858-864
doi: 10.1002/open.201800185

Fleming, J.R.; Schupfner, M.; Busch, F.; Basle, A.; Ehrmann, A.; Sterner, R.; Mayans, O.: Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole. , Journal of Molecular Biology : jmb 430 (2018), p. 5066-5079
doi: 10.1016/j.jmb.2018.10.013

Stehling, O.; Jeoung, J.H.; Freibert, S.A.; Paul, V.D.; Banfer, S.; Niggemeyer, B.; Rosser, R.; Dobbek, H.; Lill, R.: Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. E9085-E9094
doi: 10.1073/pnas.1807762115

Jeanne Dit Fouque, K.; Lavanant, H.; Zirah, S.; Hegemann, J.D.; Fage, C.D.; Marahiel, M.A.; Rebuffat, S.; Afonso, C.: General rules of fragmentation evidencing lasso structures in CID and ETD. , Analyst 143 (2018), p. 1157-1170
doi: 10.1039/c7an02052j

Wiechert, Franziska: Heterologous expression of the antifungal protein AFP from Aspergillus giganteus in Escherichia Coli. , Berlin, Technische Universität, Bachelor, 2018

Behrens, C.; Biela, I.; Petiot-Bécard, S.; Botzanowski, T.; Cianférani, S.; Sager, C.P.; Klebe, G.; Heine, A.; Reuter, K.: Homodimer Architecture of QTRT2, the Noncatalytic Subunit of the Eukaryotic tRNA-Guanine Transglycosylase. , Biochemistry 57 (2018), p. 3953-3965
doi: 10.1021/acs.biochem.8b00294

Carter, M.; Jemth, A.-S.; Carreras-Puigvert, J.; Herr, P.; Martínez Carranza, M.; Vallin, K.S.A.; Throup, A.; Helleday, T.; Stenmark, P.: Human NUDT22 Is a UDP-Glucose/Galactose Hydrolase Exhibiting a Unique Structural Fold. , Structure 26 (2018), p. 295-303.e6
doi: 10.1016/j.str.2018.01.004

Plavsa, J.J.; Rezacova, P.; Kugler, M.; Pachl, P.; Brynda, J.; Voburka, Z.; Celic, A.; Petri, E.T; Skerlova, J.: In situ proteolysis of an N-terminal His tag with thrombin improves the diffraction quality of human aldo-keto reductase 1C3 crystals. , Acta Crystallographica Section F - Structural Biology Communications 74 (2018), p. 300-306
doi: 10.1107/S2053230X18005721

Gabdulkhakov, A.G.; Kostareva, O.S.; Kolyadenko, I.A.; Mikhaylina, A.O.; Trubitsina, L.I.; Tishchenko, S.V.: Incorporation of Copper Ions into T2/T3 Centers of Two-Domain Laccases. , Molecular Biology 52 (2018), p. 23–29
doi: 10.1134/S0026893318010041

Misson, L.; Burn, R.; Vit, A.; Hildesheim, J.; Beliaeva, M.A.; Blankenfeldt, W.; Seebeck, F.P.: Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD. , ACS Chemical Biology 13 (2018), p. 1333-1342
doi: 10.1021/acschembio.8b00127

Zhang, J.; Grundstrom, C.; Brannstrom, K.; Iakovleva, I.; Lindberg, M.; Olofsson, A.; Andersson, P.L.; Sauer-Eriksson, A.E.: Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. , Environmental Science & Technology 52 (2018), p. 11865-11874
doi: 10.1021/acs.est.8b03581

Schiebel, J.; Gaspari, R.; Wulsdorf, T.; Ngo, K.; Sohn, C.; Schrader, T.; Cavalli, A.; Ostermann, A.; Heine, A.; Klebe, G.: Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. , Nature Communications 9 (2018)
doi: 10.1038/s41467-018-05769-2

Teixeira, P.T.; Masuyer, G.; Pinho, C.M.; Branca, R.M.M.; Kmiec, B.; Wallin, C.; Wärmländer, S.K.T.S.; Berntsson, R.P.A.; Ankarcrona, M.; Gräslund, A.; Lehtiö, J.; Stenmark, P.; Glaser, E.: Mechanism of Peptide Binding and Cleavage by the Human Mitochondrial Peptidase Neurolysin. , Journal of Molecular Biology : jmb 430 (2018), p. 348-362
doi: 10.1016/j.jmb.2017.11.011

Qureshi, B.M.; Schmidt, A.; Behrmann, E.; Buerger, J.; Mielke, T.; Spahn, C.M.T.; Heck, M.; Scheerer, P.: Mechanistic insights into the role of prenyl-binding protein PrBP/delta in membrane dissociation of phosphodiesterase 6. , Nature Communications 9 (2018), p. 90/1-12
doi: 10.1038/s41467-017-02569-y

Czyrko, J.; Sliwiak, J.; Imiolczyk, B.; Gdaniec, Z.; Jaskolski, M.; Brzezinski, K.: Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa. , Scientific Reports 8 (2018), p. 11334/1-15
doi: 10.1038/s41598-018-29535-y

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.: Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. , Nature 563 (2018), p. 705-709
doi: 10.1038/s41586-018-0730-x

Jemth, A.; Gustafsson, R.; Bräutigam, L.; Henriksson, L.; Vallin, K.S.A.; Sarno, A.; Almlöf, I.; Homan, E.; Rasti, A.; Warpman Berglund, U.; Stenmark, P.; Helleday, T.: MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP. , Nucleic Acids Research 46 (2018), p. 10888-10904
doi: 10.1093/nar/gky896

Ignatz, E.; Geisselbrecht, Y.; Kiontke, S.; Essen, L.O.: Nicotinamide Adenine Dinucleotides Arrest Photoreduction of Class II DNA Photolyases in FADH˙ State. , Photochemistry and Photobiology 94 (2018), p. 81-87
doi: 10.1111/php.12834

Hanova, I.; Brynda, J.; Hobizalova, R.; Alam, N.; Sojka, D.; Kopacek, P.; Maresova, L.; Vondrasek, J.; Horn, M.; Schueler-Furman, O.; Mares, M.: Novel structural mechanism of allosteric regulation of aspartic peptidases via evolutionary conserved exosite. , Cell Chemical Biology 25 (2018), p. 318-329
doi: 10.1016/j.chembiol.2018.01.001

Tröster, A.; Heinzlmeir, S.; Berger, B.; Gande, S.; Saxena, K.; Sreeramulu, S.; Linhard, V.; Nasiri, A.; Bolte, M.; Müller, S.; Kuster, B.; Médard, G.; Kudlinzki, D.; Schwalbe, H.: NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. , ChemMedChem 13 (2018), p. 1629-1633
doi: 10.1002/cmdc.201800398

Wienen-Schmidt, B.; Wulsdorf, T.; Jonker, H.R.A.; Saxena, K.; Kudlinzki, D.; Linhard, V.; Sreeramulu, S.; Heine, A.; Schwalbe, H.; Klebe, G.: On the implication of water on fragment-to-ligand growth in kinase binding thermodynamics. , ChemMedChem 13 (2018), p. 1988-1996
doi: 10.1002/cmdc.201800438

Wienen-Schmidt, B.; Jonker, H.R.A.; Wulsdorf, T.; Gerber, H.-D.; Saxena, K.; Kudlinzki, D.; Sreeramulu, S.; Parigi, G.; Luchinat, C.; Heine, A.; Schwalbe, H.; Klebe, G.: Paradoxically, Most Flexible Ligand Binds Most Entropy-Favored: Intriguing Impact of Ligand Flexibility and Solvation on Drug-Kinase Binding. , Journal of Medicinal Chemistry 61 (2018), p. 5922-5933
doi: 10.1021/acs.jmedchem.8b00105

Kalbas, D.; Liebscher, S.; Nowak, T.; Meleshin, M.; Pannek, M.; Popp, C.; Alhalabi, Z.; Bordusa, F.; Sippl, W.; Steegborn, C.; Schutkowski, M.: Potent and Selective Inhibitors of Human Sirtuin 5. , Journal of Medicinal Chemistry 61 (2018), p. 2460-2471
doi: 10.1021/acs.jmedchem.7b01648

Sliwiak, J.; Sikorski, M.; Jaskolski, M.: PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine. , FEBS Journal 285 (2018), p. 1907-1922
doi: 10.1111/febs.14455

Schmitt, A.; Jiang, K.; Camacho, M.I.; Jonna, V.R.; Hofer, A.; Westerlund, F.; Christie, P.J.; Berntsson, R.P.: PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction. , Molecular Microbiology 109 (2018), p. 291-305
doi: 10.1111/mmi.13980

Hnizda, A.; Fabry, M.; Moriyama, T.; Pachl, P.; Kugler, M.; Brinsa, V.; Ascher, D.; Carroll, W.; Novak, P.; Zaliova, M.; Trka, J.; Rezacova, P.; Yang, J.; Veverka, V.: Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation. , Leukemia 32 (2018), p. 1393-1403
doi: 10.1038/s41375-018-0073-5

Lorenzen, J.; Driller, R.; Waldow, A.; Qoura, F.; Loll, B.; Brück, T.: Rhodococcus erythropolis Oleate Hydratase: a New Member in the Oleate Hydratase Family TreeBiochemical and Structural Studies. , ChemCatChem 10 (2018), p. 407-414
doi: 10.1002/cctc.201701350

Scheib, U.; Broser, M.; Constantin, O.; Yang, S.; Gao, S.; Mukherjee, S.; Stehfest, K.; Nagel, G.; Gee, C.; Hegemann, P.: Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain. , Nature Communications 9 (2018), p. 2046/1-15
doi: 10.1038/s41467-018-04428-w

Kailing, L.L.; Bertinetti, D.; Paul, C.E.; Manszewski, T.; Jaskolski, M.; Herberg, F.W.; Pavlidis, I.V.: S-Adenosyl-L-Homocysteine Hydrolase Inhibition by a Synthetic Nicotinamide Cofactor Biomimetic. , Frontiers in Microbiology 9 (2018), p. 505/1-11
doi: 10.3389/fmicb.2018.00505

Keller, S.; Kunze, C.; Bommer, M.; Paetz, C.; Menezes, R.C.; Svatos, A.; Dobbek, H.; Schubert, T.: Selective Utilization of Benzimidazolyl-Norcobamides as Cofactors by the Tetrachloroethene Reductive Dehalogenase of Sulfurospirillum multivorans. , Journal of Bacteriology 200 (2018), p. e00584-17
doi: 10.1128/JB.00584-17

Kunstmann, S.; Gohlke, U.; Broeker, N.K.; Roske, Y.; Heinemann, U.; Santer, M.; Barbirz, S.: Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site. , Journal of the American Chemical Society 140 (2018), p. 10447-10455
doi: 10.1021/jacs.8b03719

Razew, M.; Warkocki, Z.; Taube, M.; Kolondra, A.; Czarnocki-Cieciura, M.; Nowak, E.; Labedzka-Dmoch, K.; Kawinska, A.; Piatkowski, J.; Golik, P.; Kozak, M.; Dziembowski, A.; Nowotny, M.: Structural analysis of mtEXO mitochondrial RNA degradosome reveals tight coupling of nuclease and helicase components. , Nature Communications 9 (2018), p. 97/1-12
doi: 10.1038/s41467-017-02570-5

Licht, A.; Bommer, M.; Werther, T.; Neumann, K.; Hobe, C.; Schneider, E.: Structural and functional characterization of a maltose/maltodextrin ABC transporter comprising a single solute binding domain (MalE) fused to the transmembrane subunit MalF. , Research in Microbiology 170 (2018), p. 1-12
doi: 10.1016/j.resmic.2018.08.006

Kock, M.; Brückner, S.; Wozniak, N.; Maestre-Reyna, M.; Veelders, M.; Schlereth, J.; Mösch, H.U.; Essen, L.O.: Structural and Functional Characterization of PA14/Flo5-Like Adhesins FromKomagataella pastoris. , Frontiers in Microbiology 9 (2018), p. 2581/1-17
doi: 10.3389/fmicb.2018.02581

Han, X.; Sun, R.; Sandalova, T.; Achour, A.: Structural and functional studies of Spr1654: an essential aminotransferase in teichoic acid biosynthesis in Streptococcus pneumoniae. , Open Biology 8 (2018), p. 170248/1-12
doi: 10.1098/rsob.170248

Grabarczyk, D.; Silkenat, S.; Kisker, C.: Structural Basis for the Recruitment of Ctf18-RFC to the Replisome. , Structure 26 (2018), p. 137-144
doi: 10.1016/j.str.2017.11.004

Ming, Q.; Roske, Y.; Schuetz, A.; Walentin, K.; Ibraimi, I.; Schmidt-Ott, K.M.; Heinemann, U.: Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. , Nucleic Acids Research 46 (2018), p. 2082-2095
doi: 10.1093/nar/gkx1299

You, W.; Steegborn, C.: Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development. , Journal of Medicinal Chemistry 61 (2018), p. 10922-10928
doi: 10.1021/acs.jmedchem.8b01455

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.: Structural changes of TasA in biofilm formation ofBacillus subtilis. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. 3237-3242
doi: 10.1073/pnas.1718102115

Schmidt, A.; Sauthof, L.; Szczepek, M.; Fernandez Lopez, M.; Velazquez Escobar, F.; Qureshi, B.M.; Michael, N.; Buhrke, D.; Stevens, T.; Kwiatkowski, D.; von Stetten, D.; Mroginski, M.; Krauß, N.; Lamparter, T.; Hildebrandt, P.; Scheerer, P.: Structural snapshot of a bacterial phytochrome in its functional intermediate state. , Nature Communications 9 (2018), p. 4912/1-13
doi: 10.1038/s41467-018-07392-7

Orlikowska, M.; de J. Rostro-Alanis, M.; Bujacz, A.; Hernández-Luna, C.; Rubio, R.; Parra, R.; Bujacz, G.: Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus. , International Journal of Biological Macromolecules 107 (2018), p. 1629-1640
doi: 10.1016/j.ijbiomac.2017.10.024

Antoshvili, M.; Caspy, I.; Hippler, M.; Nelson, N.: Structure and function of photosystem I in Cyanidioschyzon merolae. , Photosynthesis Research 139 (2018), p. 499-508
doi: 10.1007/s11120-018-0501-4

Malavath, T.; Caspy, I.; Netzer-El, S.; Klaiman, D.; Nelson, N.: Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis. , Biochimica et Biophysica Acta - Bioenergetics 1859 (2018), p. 645-654
doi: 10.1016/j.bbabio.2018.02.002

Caspy, I.; Nelson, N.: Structure of the plant photosystem I. , Biochemical Society Transactions 46 (2018), p. 285-294
doi: 10.1042/BST20170299

Braun, F.; Bertoletti, N.; Möller, G.; Adamski, J.; Frotscher, M.; Guragossian, N.; Madeira Gírio, P.A.; Le Borgne, M.; Ettouati, L.; Falson, P.; Müller, S.; Vollmer, G.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.: Structure-based design and profiling of novel 17ß-HSD14 inhibitors. , European Journal of Medicinal Chemistry 155 (2018), p. 61-76
doi: 10.1016/j.ejmech.2018.05.029

Pachl, P.; Simák, O.; Budesínský, M.; Brynda, J.; Rosenberg, I.; Rezácová, P.: Structure-Based Optimization of Bisphosphonate Nucleoside Inhibitors of Human 5(3)-deoxyribonucleotidases. , European Journal of Organic Chemistry 2018 (2018), p. 5144-5153
doi: 10.1002/ejoc.201800515

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.; Almlöf, I.; Font-Mateu, J.; Llona-Minguez, S.; Baranczewski, P.; Jeppsson, F.; Homan, E.; Almqvist, H.; Axelsson, H.; Regmi, S.; Gustavsson, A.-L.; Lundbäck, T; Scobie, M; Strömberg, K; Stenmark, P; Beato, M; Helleday, T: Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. , Nature Communications 9 (2018), p. 250/1-14
doi: 10.1038/s41467-017-02293-7

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.: Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination. , Nature Communications 9 (2018), p. 3872/1-16
doi: 10.1038/s41467-018-06287-x

Zuber, P.K.; Artsimovitch, I.; NandyMazumdar, M.; Liu, Z.; Nedialkov, Y.; Schweimer, K.; Rosch, P.; Knauer, S.H.: The universally-conserved transcription factor RfaH is recruited to a hairpin structure of the non-template DNA strand. , eLife 7 (2018), p. e36349/1-22
doi: 10.7554/eLife.36349

Kalms, J.; Schmidt, A.; Frielingsdorf, S.; Utesch, T.; Gotthard, G.; von Stetten, D.; van der Linden, P.; Royant, A.; Mroginski, M.; Carpentier, P.; Lenz, O.; Scheerer, P.: Tracking the route of molecular oxygen in O-2-tolerant membrane-bound [NiFe] hydrogenase. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. E2229-E2237
doi: 10.1073/pnas.1712267115

Dahms, S.O.; Hardes, K.; Steinmetzer, T.; Than, M.E.: X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket. , Biochemistry 57 (2018), p. 925-934
doi: 10.1021/acs.biochem.7b01124

2017

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.: 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. , Journal of Medicinal Chemistry 60 (2017), p. 4234-4244
doi: 10.1021/acs.jmedchem.7b00104

Ticha, A.; Stanchev, S.; Vinothkumar, K.; Mikles, D.; Pachl, P.; Svehlova, K.; Nguyen, M.; Verhelst, S.; Johnson, D.; Bachovchin, D.; Majer, P.; Strisovsky, K.: A modular and generalizable route to potent, selective and pharmacologically compliant inhibitors of rhomboid proteases. , FEBS Journal 24 (2017), p. 1523-1536.e4
doi: 10.1016/j.chembiol.2017.09.007

Bock, T.; Luxenburger, E.; Hoffmann, J.; Schütza, V.; Feiler, C.; Müller, R.; Blankenfeldt, W.: AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. , Angewandte Chemie - International Edition 56 (2017), p. 9986-9989
doi: 10.1002/anie.201701992

Arencibia, J.M.; Fröhner, W.; Krupa, M.; Pastor-Flores, D.; Merker, P.; Oellerich, T.; Neimanis, S.; Schmithals, C.; Köberle, V.; Süß, E.; Zeuzem, S.; Stark, H.; Piiper, A.; Odadzic, D.; Schulze, J.O.; Biondi, R.M.: An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms. , ACS Chemical Biology 12 (2017), p. 564-573
doi: 10.1021/acschembio.6b00827

Nemchinova, M.; Balobanov, V.; Nikonova, E.; Lekontseva, N.; Mikhaylina, A.; Tishchenko, S.; Nikulin, A.: An Experimental Tool to Estimate the Probability of a Nucleotide Presence in the Crystal Structures of the Nucleotide-Protein Complexes. , The Protein Journal 36 (2017), p. 157-165
doi: 10.1007/s10930-017-9709-y

Ge, C.; Tong, C.; Liang, D.; Lönnblom, B.; Schneider, E; Ayoglu, J.; Stawikowska, B.; Nilsson, R.; Fields, G.B.; Skogh, T.; Kastbom, T.; Kihlberg, A.; Burkhardt, J.; Dobritzsch, H.; Holmdahl, D.: Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage. , JCI Insight 2 (2017), p. 1-19
doi: 10.1172/jci.insight.93688

Kiontke, S.; Langemeyer, L.; Kuhlee, A.; Schuback, S.; Raunser, S.; Ungermann, C.; Kümmel, D.: Architecture and mechanism of the late endosomal Rab7-like Ypt7 guanine nucleotide exchange factor complex Mon1-Ccz1. , Nature Communications 8 (2017), p. 14034/1-10
doi: 10.1038/ncomms14034

Hanske, J.; Schulze, J.; Aretz, J.; McBride, R.; Loll, B.; Schmidt, H.; Knirel, Y.; Rabsch, W.; Wahl, M.C.; Paulson, J.C.; Rademacher, C.: Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent. , Journal of Biological Chemistry 292 (2017), p. 862-871
doi: 10.1074/jbc.M116.751750

Bouché, L.; Christ, C.D.; Siegel, S.; Fernández-Montalván, A.E.; Holton, S.J.; Fedorov, O.; Ter Laak, A.; Sugawara, T.; Stöckigt, D.; Tallant, C.; Bennett, J.; Monteiro, O.; Díaz-Sáez, L.; Siejka, P.; Meier, J.; Pütter, V.; Weiske, J.; Müller, S.; Huber, K.V.M.; Hartung, I.; Haendler, B.: Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. , Journal of Medicinal Chemistry 60 (2017), p. 4002-4022
doi: 10.1021/acs.jmedchem.7b00306

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.: Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint. , Angewandte Chemie - International Edition 56 (2017), p. 13732-13735
doi: 10.1002/anie.201707707

Pannek, Martin: Biochemical and structural studies on the mitochondrial Sirtuins 4 and 5. , Bayreuth, Universität, Diss., 2017

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.: Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. , ChemMedChem 12 (2017), p. 999-1011
doi: 10.1002/cmdc.201700217

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.: Chlamydia trachomatis-containing vacuole serves as deubiquitination platform to stabilize Mcl-1 and to interfere with host defense. , eLife 6 (2017), p. e21465/1-27
doi: 10.7554/eLife.21465

Domnik, L.; Merrouch, M.; Goetzl, S.; Jeoung, J.H.; Leger, C.; Dementin, S.; Fourmond, V.; Dobbek, H.: CODH-IV: A High-Efficiency CO-Scavenging CO Dehydrogenase with Resistance to O2. , Angewandte Chemie - International Edition 56 (2017), p. 15466-15469
doi: 10.1002/anie.201709261

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.: Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana. , Journal of Biological Chemistry 292 (2017), p. 17525-17540
doi: 10.1074/jbc.M117.790212

Skinner, J.J.; Wang, S.; Lee, J.; Ong, C.; Sommese, R.; Sivaramakrishnan, S.; Koelmel, W.; Hirschbeck, M.; Schindelin, H.; Kisker, C.; Lorenz, K.; Sosnick, T.R.; Rich Rosner, M.: Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 114 (2017), p. 13453-13458
doi: 10.1073/pnas.1711543114

Stranava, M.; Man, P.; Skálová, T.; Kolenko, P.; Blaha, J.; Fojtikova, V.; Martínek, V.; Dohnálek, J.; Lengalova, A.; lek, M.; Shimizu, T.; Martínková, M.: Coordination and redox state-dependent structural changes of the heme-based oxygen sensor AfGcHK associated with intraprotein signal transduction. , Journal of Biological Chemistry 292 (2017), p. 20921-20935
doi: 10.1074/jbc.M117.817023

Witkowska, J.; Gizynska, M.; Grudnik, P.; Golik, P.; Karpowicz, P.; Gieldon, A.; Dubin, G.; Jankowska, E.: Crystal structure of a low molecular weight activator Blm-pep with yeast 20S proteasome - insights into the enzyme activation mechanism. , Scientific Reports 7 (2017), p. 6177/1-11
doi: 10.1038/s41598-017-05997-4

Heilingloh, C.S.; Klingl, S.; Egerer-Sieber, C.; Schmid, B.; Weiler, S.; Mühl-Zürbes, P.; Hofmann, J.; Stump, J.D.; Sticht, H.; Kummer, M.; Steinkasserer, A.; Muller, Y.A.: Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. , Journal of Molecular Biology : jmb 429 (2017), p. 1227-1243
doi: 10.1016/j.jmb.2017.03.009

Rumnieks, Janis; Tars, Kaspars: Crystal Structure of the Maturation Protein from Bacteriophage Q beta. , Journal of Molecular Biology : jmb 429 (2017), p. 688-696
doi: 10.1016/j.jmb.2017.01.012

Schuetz, A.; Radusheva, V.; Krug, S.M.; Heinemann, U.: Crystal structure of the tricellulin C-terminal coiled-coil domain reveals a unique mode of dimerization. , Annals of the New York Academy of Sciences 1405 (2017), p. 147-159
doi: 10.1111/nyas.13408

Zhang, F.; Ma, H.; Bowatte, K.; Kwiatkowski, D.; Mittmann, E.; Qasem, H.; Krauß, N.; Zeng, X.; Ren, Z.; Scheerer, P.; Yang, X.; Lamparter, T.: Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity. , Photochemistry and Photobiology 93 (2017), p. 323-330
doi: 10.1111/php.12699

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.: 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. , Journal of Molecular Graphics and Modelling 77 (2017), p. 33-50
doi: 10.1016/j.jmgm.2017.08.008

Haag, S.; Schindler, M.; Berndt, L.; Brennicke, A.; Takenaka, M.; Weber, G.: Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9. , Nucleic Acids Research 45 (2017), p. 4915-4928
doi: 10.1093/nar/gkx099

Pannek, M.; Simic, Z.; Fuszard, M.; Meleshin, M.; Rotili, D.; Mai, A.; Schutkowski, M.; Steegborn, C.: Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features. , Nature Communications 8 (2017), p. 1513/1-13
doi: 10.1038/s41467-017-01701-2

Moniot, S.; Forgione, M.; Lucidi, A.; Haihi, G.S.; Nebbioso, A.; Carafa, V.; Baratta, F.; Altucci, L.; Giacche, N.; Passeri, D.; Pellicciari, R.; Mai, A.; Steegborn, C.; Rotili, D.: 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. , Journal of Medicinal Chemistry 60 (2017), p. 2344-2360
doi: 10.1021/acs.jmedchem.6b01609

Quosdorf, S.; Schuetz, A.; Kolodziej, H.: 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. , Molecules (Basel) 22 (2017), p. 1989/1-18
doi: 10.3390/molecules22111989

Stránský, Jan: Diskrétně prvkový mezoúrovňový model pro beton a jeho kombinaces MKP = Mesoscale discrete element model for concrete and its combination with FEM. , Prague, České vysoké učení technické v Praze (CVUT), thesis, 2017

Misra, M.; Kuhn, M.; Löbel, M.; An, H.; Statsyuk, A.V.; Sotriffer, C.; Schindelin, H.: Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme. , Structure 25 (2017), p. 1120-1129.e3
doi: 10.1016/j.str.2017.05.001

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.: Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. , Journal of the American Chemical Society 139 (2017), p. 3417-3429
doi: 10.1021/jacs.6b11148

Speck, David: Expression and purification of bovine cone 3‘,5‘-cyclic nucleotide phosphodiesterase 6. , Berlin, Freie Universität Berlin, Master, 2017

Rudling, A.; Gustafsson, R.; Almlöf, I.; Homan, E.; Scobie, M.; Warpman Berglund, U.; Helleday, T.; Stenmark, P.; Carlsson, J.: Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. , Journal of Medicinal Chemistry 60 (2017), p. 8160-8169
doi: 10.1021/acs.jmedchem.7b01006

Krimmer, S.G.; Cramer, J.; Schiebel, J.; Heine, A.; Klebe, G.: How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin. , Journal of the American Chemical Society 139 (2017), p. 10419-10431
doi: 10.1021/jacs.7b05028

Absmeier, E.; Becke, C.; Wollenhaupt, J.; Santos, K.F.; Wahl, M.C.: Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2. , Cell Cycle 16 (2017), p. 100-112
doi: 10.1080/15384101.2016.1255384

Klima, M.; Chalupska, D.; Rozycki, B.; Humpolickova, J.; Rezabkova, L.; Silhan, J.; Baumlova, A.; Dubankova, A.; Boura, E.: Kobuviral Non-structural 3A Proteins Act as Molecular Harnesses to Hijack the Host ACBD3 Protein. , Structure 25 (2017), p. 219-230
doi: 10.1016/j.str.2016.11.021

Newie, J.; Neumann, P.; Werner, M.; Mata, R.A.; Ficner, R.; Feussner, I.: Lipoxygenase 2 from Cyanothece sp controls dioxygen insertion by steric shielding and substrate fixation. , Scientific Reports 7 (2017), p. 2069/1-12
doi: 10.1038/s41598-017-02153-w

Weiss, M.S.: Long-Wavelength X-Ray Diffraction and Its Applications in Macromolecular Crystallography. , In: Alexander Wlodawer, Zbigniew Dauter, Mariusz Jaskolski [Ed.] : Protein crystallography : methods and protocols. New York, NY: Humana Press, 2017 (Methods in Molecular Biology ; 1607). - ISBN 978-1-4939-6998-2, p. 401-420
doi: 10.1007/978-1-4939-7000-1_17

Salazar, H.; Eibl, C.; Chebli, M.; Plested, A.: Mechanism of partial agonism in AMPA-type glutamate receptors. , Nature Communications 8 (2017), p. 14327/1-11
doi: 10.1038/ncomms14327

Rajabi, N.; Auth, M.; Troelsen, K.R.; Pannek, M.; Bhatt, D.P.; Fontenas, M.; Hirschey, M.D.; Steegborn, C.; Madsen, A.S.; Olsen, C.A.: Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. , Angewandte Chemie - International Edition 56 (2017), p. 14836-14841
doi: 10.1002/anie.201709050

Diederich, C.; Leypold, M.; Culka, M.; Weber, H.; Breinbauer, R.; Ullmann, G.M.; Blankenfeldt, W.: Mechanisms and Specificity of Phenazine Biosynthesis Protein PhzF. , Scientific Reports 7 (2017), p. 6272/1-13
doi: 10.1038/s41598-017-06278-w

Chinthalapudi, K.; Heissler, S.M.; Preller, M.; Sellers, J.R.; Manstein, D.J.: Mechanistic insights into the active site and allosteric communication pathways in human nonmuscle myosin-2C. , eLife 6 (2017), p. e32742/1-24
doi: 10.7554/eLife.32742

Boura, E.; Baumlova, A.; Chalupska, D.; Dubankova, A.; Klima, M.: Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography. , Protein Science 26 (2017), p. 1116-1123
doi: 10.1002/pro.3162

Alblova, M.; Smidova, A.; Docekal, V.; Vesely, J.; Herman, P.; Obsilova, V.; Obsil, T.: Molecular basis of the 14-3-3 protein-dependent activation of yeast neutral trehalase Nth1. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 114 (2017), p. E9811-E9820
doi: 10.1073/pnas.1714491114

Dowiercial, Anna; Jarmula, Adam; Wilk, Piotr; Rypniewski, Wojciech; Kowalska, Monika; Fraczyk, Tomasz; Ciesla, Joanna; Rode, Wojciech: Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme. , Structural Chemistry 28 (2017), p. 667-674
doi: 10.1007/s11224-016-0840-8

Rydzik, A.M.; Warminski, M.; Sikorski, P.J.; Baranowski, M.R.; Walczak, S.; Kowalska, J.; Zuberek, J.; Lukaszewicz, M.; Nowak, E.; Claridge, T.D.W.; Darzynkiewicz, E.; Nowotny, M.; Jemielity, J.: 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. , Nucleic Acids Research 45 (2017), p. 8661-8675
doi: 10.1093/nar/gkx569

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.: OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors. , Oncogene 36 (2017), p. 1911-1924
doi: 10.1038/onc.2016.354

Cramer, J.; Krimmer, S.G.; Heine, A.; Klebe, G.: 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. , Journal of Medicinal Chemistry 60 (2017), p. 5791-5799
doi: 10.1021/acs.jmedchem.7b00490

Edwardraja, S.; Eichinger, A.; Theobald, I.; Sommer, C.A.; Reichert, A.J.; Skerra, A.: Rational Design of an Anticalin-Type Sugar-Binding Protein Using a Genetically Encoded Boronate Side Chain. , ACS Sustainable Chemistry & Engineering 6 (2017), p. 2241-2247
doi: 10.1021/acssynbio.7b00199

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.: Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. , Biochemistry 56 (2017), p. 1865-1878
doi: 10.1021/acs.biochem.6b01048

Wedepohl, S.; Dernedde, J.; Vahedi-Faridi, A.; Tauber, R.; Saenger, W.; Bulut, H.: 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 Å Resolution. , ChemBioChem 18 (2017), p. 1338-1345
doi: 10.1002/cbic.201700220

Sevvana, M.; Hasselt, K.; Grau, F.C.; Burkovski, A.; Muller, Y.A.: Similarities in the structure of the transcriptional repressor AmtR in two different space groups suggest a model for the interaction with GlnK. , Acta Crystallographica Section F - Structural Biology Communications 73 (2017), p. 146-151
doi: 10.1107/S2053230X17002485

Skalniak, L.; Zak, K.; Guzik, K.; Magiera, K.; Musielak, B.; Pachota, M.; Szelazek, B.; Kocik, J.; Grudnik, P.; Tomala, M.; Krzanik, S.; Pyrc, K.; Dömling, A.; Dubin, G.; Holak, T.: Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. , OncoTarget 8 (2017), p. 72167-72181
doi: 10.18632/oncotarget.20050

Twarda-Clapa, Aleksandra: Small-molecule inhibitors of the p53-Mdm2/MdmX interaction as basis of anticancer therapy : determination of the crystal structure of the FAS1 domain of the hyaluronic acid receptor Stab2. , Krakow, Uniwersytetu Jagiellońskiego, thesis, 2017

Ehrmann, F.R.; Stojko, J.; Metz, A.; Debaene, F.; Barandun, L.J.; Heine, A.; Diederich, F.; Cianferani, S.; Reuter, K.; Klebe, G.: Soaking suggests " alternative facts " : Only cocrystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition. , PLoS One 12 (2017), p. e0175723/1-30
doi: 10.1371/journal.pone.0175723

Bogusz, J.; Zrubek, K.; Rembacz, K.P.; Grudnik, P.; Golik, P.; Romanowska, M.; Wladyka, B.; Dubin, G.: Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors. , Scientific Reports 7 (2017), p. ARTN 13399
doi: 10.1038/s41598-017-13557-z

Piechotta, A.; Parthier, C.; Kleinschmidt, M.; Gnoth, K.; Pillot, T.; Lues, I.; Demuth, H.-U.; Schilling, S.; Rahfeld, J.-U.; Stubbs, M.T.: Structural and functional analyses of pyroglutamate-amyloid-beta-specific antibodies as a basis for Alzheimer immunotherapy. , Journal of Biological Chemistry 292 (2017), p. 12713-12724
doi: 10.1074/jbc.M117.777839

Schulte, K.; Green, E.; Wilz, A.; Platten, M.; Daumke, O.: Structural Basis for Aryl Hydrocarbon Receptor-Mediated Gene Activation. , Structure 25 (2017), p. 1025-1033.e3
doi: 10.1016/j.str.2017.05.008

Cernooka, E.; Rumnieks, J.; Tars, K.; Kazaks, A.: Structural Basis for DNA Recognition of a Single-stranded DNA-binding Protein from Enterobacter Phage Enc34. , Scientific Reports 7 (2017), p. 15529/1-10
doi: 10.1038/s41598-017-15774-y

Bartossek, T.; Jones, N.G.; Schäfer, C.; Cvitkovic, M.; Glogger, M.; Mott, H.R.; Kuper, J.; Brennich, M.; Carrington, M.; Smith, A.-S.; Fenz, S.; Kisker, C.; Engstler, M.: Structural basis for the shielding function of the dynamic trypanosome variant surface glycoprotein coat. , Nature Microbiology 2 (2017), p. 1523-1532
doi: 10.1038/s41564-017-0013-6

You, W.; Rotili, D.; Li, T.M.; Kambach, C.; Meleshin, M.; Schutkowski, M.; Chua, K.F.; Steegborn, C.: Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules. , Angewandte Chemie - International Edition 56 (2017), p. 1007-1011
doi: 10.1002/anie.201610082

Szelazek, B.; Kabala, W.; Kus, K.; Zdzalik, M.; Twarda-Clapa, A.; Golik, P.; Burmistrz, M.; Florek, D.; Wladyka, B.; Pyrc, K.; Dubin, G.: Structural Characterization of Human Coronavirus NL63 N Protein. , Journal of Virology 91 (2017), p. 02503-16/1-14
doi: 10.1128/JVI.02503-16

Kalms, Jacqueline: Structural examination of hydrophobic tunnels in proteins. , Berlin, Technische Universität, Diss., 2017

Niefind, K.; Bischoff, N.; Golub, A.; Bdzhola, V.; Balanda, A.; Prykhod´ko, A.; Yarmoluk, S.: Structural hypervariability of the two human protein kinase CK2 catalytic subunit paralogs revealed by complex structures with a flavonoland a thieno[2,3-d]pyrimidine-based inhibitor. , Pharmaceuticals 10 (2017), p. 9/1-16
doi: 10.3390/ph10010009

De Santi, C.; Gani, O.A.B.S.M.; Helland, R.; Williamson, A.: Structural insight into a CE15 esterase from the marine bacterial metagenome. , Scientific Reports 7 (2017), p. 17278/1-10
doi: 10.1038/s41598-017-17677-4

Gonzalez, G.M.; Durica-Mitic, S.; Hardwick, S.W.; Moncrieffe, M.C.; Resch, M.; Neumann, P.; Ficner, R.; Görke, B.; Luisi, B.F.: Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. , Nucleic Acids Research 45 (2017), p. 10845-10860
doi: 10.1093/nar/gkx732

Zhang, M.; Bommer, M.; Chatterjee, R.; Hussein, R.; Yano, J.; Dau, H.; Kern, J.; Dobbek, H.; Zouni, A.: Structural insights into the light-driven auto-assembly process of the water oxidizing Mn4CaO5-cluster in photosystem II. , eLife 6 (2017), p. e26933/-20
doi: 10.7554/eLife.26933

Dahms, S.O.; Jiao, G.-S.; Than, M.E.: Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor. , ACS Chemical Biology 12 (2017), p. 1211-1216
doi: 10.1021/acschembio.6b01110

Witzgall, F.; Ewert, W.; Blankenfeldt, W.: Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis. , ChemBioChem 18 (2017), p. 2045-2055
doi: 10.1002/cbic.201700374

Wilk, P.; Uehlein, M.; Kalms, J.; Dobbek, H.; Mueller, U.; Weiss, M.S.: Substrate specificity and reaction mechanism of human prolidase. , FEBS Journal 284 (2017), p. 2870-2885
doi: 10.1111/febs.14158

Dolot, R.; Sobczak, M.; Mikolajczyk, B.; Nawrot, B.: Synthesis, crystallization and preliminary crystallographic analysis of a 52-nucleotide DNA/2-OMe-RNA oligomer mimicking 10-23 DNAzyme in the complex with a substrate. , Nucleosides, Nucleotides and Nucleic Acids 36 (2017), p. 292-301
doi: 10.1080/15257770.2016.1276291

Bock, T.; Volz, C.; Hering, V.; Scrima, A.; Mueller, R.; Blankenfeldt, W.: The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus. , Nucleic Acids Research 45 (2017), p. 2166-2178
doi: 10.1093/nar/gkw1238

Kalms, J.; Banthiya, S.; Galemou Yoga, E.; Hamberg, M.; Holzhutter, H.-G.; Kuhn, H.; Scheerer, P.: The crystal structure of Pseudomonas aeruginosa lipoxygenase Ala420Gly mutant explains the improved oxygen affinity and the altered reaction specificity. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1862 (2017), p. 463-473
doi: 10.1016/j.bbalip.2017.01.003

Alvadia, C.M.; Sommer, T.; Bjerregaard-Andersen, K.; Damkier, H.; Montrasio, M.; Aalkjaer, C.; Morth, J.P.: The crystal structure of the regulatory domain of the human sodium-driven chloride/bicarbonate exchanger. , Scientific Reports 7 (2017), p. 12131/1-12
doi: 10.1038/s41598-017-12409-0

Usenik, A.; Renko, M.; Mihelic, M.; Lindic, N.; Borisek, J.; Perdih, A.; Pretnar, G.; Müller, U.; Turk, D.: The CWB2 cell wall-anchoring module is revealed by the crystal structures of the Clostridium difficile cell wall proteins Cwp8 and Cwp6. , Structure 25 (2017), p. 514-521
doi: 10.1016/j.str.2016.12.018

Kaiser, S.; Sauer, F.; Kisker, C.: The structural and functional characterization of human RecQ4 reveals insights into its helicase mechanism. , Nature Communications 8 (2017), p. 15907/1-12
doi: 10.1038/ncomms15907

Sundriyal, S.; Moniot, S.; Mahmud, Z.; Yao, S.; Di Fruscia, P.; Reynolds, C.R.; Dexter, D.T.; Sternberg, M.J.E.; Lam, E.W.-F.; Steegborn, C.; Fuchter, M.J.: Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket. , Journal of Medicinal Chemistry 60 (2017), p. 1928-1945
doi: 10.1021/acs.jmedchem.6b01690

2016

Kromann-Hansen, T.; Oldenburg, E.; Yung, K.W.; Ghassabeh, G.H.; Muyldermans, S.; Declerck, P.J.; Huang, M.; Andreasen, P.A.; Ngo, J.C.: A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior. , Journal of Biological Chemistry 291 (2016), p. 15156-15168
doi: 10.1074/jbc.M116.732503

Tölzer, C.; Pal, S.; Watzlawick, H.; Altenbuchner, J.; Niefind, K.: A novel esterase subfamily with alpha/beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to L-homoserine O-acetyl transferases. , FEBS Letters 590 (2016), p. 174-184
doi: 10.1002/1873-3468.12031

Kumar, A.; Sykorova, P.; Demo, G.; Dobes, P.; Hyrsl, P.; Wimmerova, M.: A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure. , Journal of Biological Chemistry 291 (2016), p. 25032-25049
doi: 10.1074/jbc.M115.693473

Radeva, N.; Schiebel, J.; Wang, X.; Krimmer, S.G.; Fu, K.; Stieler, M.; Ehrmann, F.R.; Metz, A.; Rickmeyer, T.; Betz, M.; Winquist, J.; Park, A.Y.; Huschmann, F.U.; Weiss, M.S.; Mueller, U.; Heine, A.; Klebe, G.: Active Site Mapping of an Aspartic Protease by Multiple Fragment Crystal Structures: Versatile Warheads To Address a Catalytic Dyad. , Journal of Medicinal Chemistry 59 (2016), p. 9743-9759
doi: 10.1021/acs.jmedchem.6b01195

Lauber, B.S.; Hardegger, L.A.; Asraful, A.K.; Lund, B.A.; Dumele, O.; Harder, M.; Kuhn, B.; Engh, R.A.; Diederich, F.: Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic. , Chemistry - A European Journal 22 (2016), p. 211-221
doi: 10.1002/chem.201503552

Goetz, F.; Roske, Y.; Schulz, M.S.; Autenrieth, K.; Bertinetti, D.; Faelber, K.; Zuehlke, K.; Kreuchwig, A.; Kennedy, E.; Krause, G.; Daumke, O.; Herberg, F.W.; Heinemann, U.; Klussmann, E.: AKAP18:PKA-RIIα structure reveals crucial anchor points for recognition of regulatory subunits of PKA. , Biochemical Journal 473 (2016), p. 1881-1894
doi: 10.1042/BCJ20160242

Kang, Y.; Gohlke, U.; Engstrom, O.; Hamark, C.; Scheidt, T.; Kunstrnann, S.; Heinemann, U.; Widmalm, G.; Santer, M.; Barbirz, S.: Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions. , Journal of the American Chemical Society 138 (2016), p. 9109-9118
doi: 10.1021/jacs.6b00240

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.: Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. , Cell Chemical Biology 23 (2016), p. 1193-1205
doi: 10.1016/j.chembiol.2016.06.017

Ivan, T.; Enkvist, E.; Viira, B.; Manoharan, G.B.; Raidaru, G.; Pflug, A.; Alam, K.A.; Zaccolo, M.; Engh, R.A.; Uri, A.: Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. , Bioconjugate Chemistry 27 (2016), p. 1900-1910
doi: 10.1021/acs.bioconjchem.6b00293

Pfahler, Juian: Biochemical characterization of the human proteins DBC1 and PARP-1 and of their potential interaction. , Bayreuth, Universität, Master, 2016

Kleinboelting, S.; Ramos-Espiritu, L.; Buck, H.; Colis, L.; van den Heuvel, J.; Fraser Glickman, J.; Levin, L.R.; Buck, J.; Steegborn, C.: Bithionol Potently Inhibits Human Soluble Adenylyl Cyclase through Binding to the Allosteric Activator Site. , Journal of Biological Chemistry 291 (2016), p. 9776-9784
doi: 10.1074/jbc.M115.708255

Sosnowski, P.; Turk, D.: Caught in the act: the crystal structure of cleaved cathepsin L bound to the active site of Cathepsin L. , FEBS Letters 590 (2016), p. 1253-1261
doi: 10.1002/1873-3468.12140

Nikulin, A.; Mikhailina, A.; Lekontseva, N.; Balobanov, V.; Nikonova, E.; Tishchenko, S.: Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii. , Journal of Biomolecular Structure and Dynamics 35 (2016), p. 1615-1628
doi: 10.1080/07391102.2016.1189849

Heinzlmeir, S.; Kudlinzki, D.; Sreeramulu, S.; Klaeger, S.; Gande, S.L.; Linhard, V.; Wilhelm, M.; Qiao, H.; Helm, D.; Ruprecht, B.; Saxena, K.; Médard, G.; Schwalbe, H.; Kuster, B.: Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. , ACS Chemical Biology 11 (2016), p. 3400-3411
doi: 10.1021/acschembio.6b00709

Krossa, S.; Faust, A.; Ober, D.; Scheidig, A.J.: Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism. , Scientific Reports 6 (2016), p. 19501/1-21
doi: 10.1038/srep19501

Ayaz, P.; Andres, D.; Kwiatkowski, D.A.; Kolbe, C.C.; Lienau, P.; Siemeister, G.; Lucking, U.; Stegmann, C.M.: Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. , ACS Chemical Biology 11 (2016), p. 1710-1719
doi: 10.1021/acschembio.6b00074

Yoga-Galemou, Etienne: Crystal structure analysis of the bacterial lipoxygenase from Pseudomonas aeruginosa. , Berlin, Freie Universität Berlin, Master, 2016

Strzelczyk, P.; Bujacz, G.: Crystal structure and ligand affinity of avidin in the complex with 4'-hydroxyazobenzene-2-carboxylic acid. , Journal of Molecular Structure 1109 (2016), p. 232-238
doi: 10.1016/j.molstruc.2016.01.013

Willensky, S.; Bar-Rogovsky, H.; Bignon, E.A.; Tischler, N.D.; Modis, Y.; Dessau, M.: Crystal Structure of Glycoprotein C from a Hantavirus in the Post-fusion Conformation. , PLoS Pathogens 12 (2016), p. e1005948/1-25
doi: 10.1371/journal.ppat.1005948

Lei, J.; Hansen, G.; Nitsche, C.; Klein, C.D.; Zhang, L.; Hilgenfeld, R.: Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor. , Science 353 (2016), p. 503-505
doi: 10.1126/science.aag2419

Eisenreichova, A.; Klima, M.; Boura, E.: 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. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 799-803
doi: 10.1107/S2053230X16015053

Fillenberg, S.B.; Friess, M.D.; Körner, S.; Boeckmann, R.A.; Muller, Y.A.: Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors. , PLoS One 11 (2016), p. e0157691/1-23
doi: 10.1371/journal.pone.0157691

Mills, S.J.; Silvander, C.; Cozier, G.; Tresaugues, L.; Nordlund, P.; Potter, B.V.: 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. , Biochemistry 55 (2016), p. 1384-1397
doi: 10.1021/acs.biochem.5b00838

Bommer, M.; Bondar, A.-N.; Zouni, A.; Dobbek, H.; Dau, H.: 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. , Biochemistry 55 (2016), p. 4626-4635
doi: 10.1021/acs.biochem.6b00441

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.: Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. , Journal of Medicinal Chemistry 59 (2016), p. 4578-4600
doi: 10.1021/acs.jmedchem.5b01890

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.: Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor. , European Journal of Medicinal Chemistry 59 (2016), p. 1176-1183
doi: 10.1021/acs.jmedchem.5b01772

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.: Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase. , Nature Chemical Biology 12 (2016), p. 838-844
doi: 10.1038/nchembio.2151

Kutin, Y.; Srinivas, V.; Fritz, M.; Kositzki, R.; Shafaat, H.S.; Birrell, J.; Bill, E.; Haumann, M.; Lubitz, W.; Högbom, M.; Griese, J.J.; Cox, N.: Divergent assembly mechanisms of the manganese/iron cofactors in R2lox and R2c proteins. , Journal of Inorganic Biochemistry 162 (2016), p. 164–177
doi: 10.1016/j.jinorgbio.2016.04.019

Baranovic, J.; Chebli, M.; Salazar, H.; Carbone, A.L.; Faelber, K.; Lau, A.J.; Daumke, O.; Plested, A.J.R.: Dynamics of the ligand binding domain layer during AMPA receptor activation. , Biophysical Journal 110 (2016), p. 896-911
doi: 10.1016/j.bpj.2015.12.033

Cramer, J.; Krimmer, S.G.; Fridh, V.; Wulsdorf, T.; Karlsson, R.; Heine, A.; Klebe, G.: Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin. , ACS Chemical Biology 12 (2016), p. 225-233
doi: 10.1021/acschembio.6b00979

Radeva, N.; Krimmer, S.G.; Stieler, M.; Fu, K.; Wang, X.; Ehrmann, F.R.; Metz, A.; Huschmann, F.U.; Weiss, M.S.; Mueller, U.; Schiebel, J.; Heine, A.; Klebe, G.: Experimental Active-Site Mapping by Fragments - Hot Spots Remote from the Catalytic Center of Endothiapepsin. , Journal of Medicinal Chemistry 59 (2016), p. 7561-7575
doi: 10.1021/acs.jmedchem.6b00645

Gande, S.L.; Saxena, K.; Sreeramulu, S.; Linhard, V.; Kudlinzki, D.; Heinzlmeir, S.; Reichert, A.J.; Skerra, A.; Kuster, B.; Schwalbe, H.: Expression and Purification of EPHA2 Tyrosine Kinase Domain for Crystallographic and NMR Studies. , ChemBioChem 17 (2016), p. 2257-2263
doi: 10.1002/cbic.201600483

Mondal, M.; Radeva, N.; Fanlo-Virgos, H.; Otto, S.; Klebe, G.; Hirsch, A.K.: Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry. , Angewandte Chemie - International Edition 55 (2016), p. 9422-9426
doi: 10.1002/anie.201603074

Gerstner, C.; Dubnovitsky, A.; Sandin, C.; Kozhukh, G.; Uchtenhagen, H.; James, E.A.; Rönnelid, J.; Ytterberg, A.J.; Pieper, J.; Reed, E.; Tandre, C.; Rieck, M.; Zubarev, R.A.; Rönnblom, L.; Sandalova, T.; Buckner, J.H.; Achour, A.; Malmström, V.: Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis. , Frontiers in Immunology 7 (2016), p. 494-506
doi: 10.3389/fimmu.2016.00494

Le Cong, Karoline-Luisa: Herstellung, Kristallisation und Strukturaufklärung von bovinem Rhodopsin im Komplex mit verschiedenen von G-Proteinen abgeleiteten Peptiden. , Berlin, Freie Universität Berlin, Bachelor, 2016

Schiebel, J.; Krimmer, S.G.; Röwer, K.; Knörlein, A.; Wang, X.; Park, A.Y.; Stieler, M.; Ehrmann, F.R.; Fu, K.; Radeva, N.; Krug, M.; Huschmann, F.U.; Glöckner, S.; Weiss, M.S.; Mueller, U.; Klebe, G.; Heine, A.: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. , Structure 24 (2016), p. 1398-1409
doi: 10.1016/j.str.2016.06.010

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.: Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. , Journal of Medicinal Chemistry 59 (2016), p. 6848-6859
doi: 10.1021/acs.jmedchem.6b00674

Gaspari, R.; Rechlin, C.; Heine, A.; Bottegoni, G.; Rocchia, W.; Schwarz, Daniel.; Bomke, J.; Gerber, H.-D.; Klebe, G.; Cavalli, A.: Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. , Journal of Medicinal Chemistry 59 (2016), p. 4245-4256
doi: 10.1021/acs.jmedchem.5b01643

Wieczorek, M.; Sticht, J.; Stolzenberg, S.; Günther, S.; Wehmeyer, C.; El Habre, Z.; Alvaro-Benito, M.; Noe, F.; Freund, C.: MHC class II complexes sample intermediate states along the peptide exchange pathway. , Nature Communications 7 (2016), p. 13224/1-13
doi: 10.1038/ncomms13224

Sporny, M.; Guez-Haddad, J.; Waterman, D.G.; Isupov, M.N.; Opatowsky, Y.: Molecular symmetry-constrained systematic search approach to structure solution of the coiled-coil SRGAP2 F-BARx domain. , Acta Crystallographica Section D - Structural biology 72 (2016), p. 1241-1253
doi: 10.1107/S2059798316016697

Bertoletti, N.; Braun, F.; Lepage, M.; Möller, G.; Adamski, J.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.: 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. , Journal of Medicinal Chemistry 59 (2016), p. 6961-6967
doi: 10.1021/acs.jmedchem.6b00293

Hnizda, A.; Skerlova, J.; Fabry, M.; Pachl, P.; Sinalova, M.; Vrzal, L.; Man, P.; Novak, P.; Rezacova, P.; Veverka, V.: Oligomeric interface modulation causes misregulation of purine 5 '-nucleotidase in relapsed leukemia. , BMC Biology 14 (2016), p. 91
doi: 10.1186/s12915-016-0313-y

Zhang, Linlin: Proteases of Emerging Viruses as Targets for Broad-Spectrum Inhibitors. , Lübeck, Universität zu Lübeck, Diss., 2016

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.: Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers. , Nature Communications 7 (2016), p. 13047/1-13
doi: 10.1038/ncomms13047

Degtjarik, O.; Brynda, J.; Ettrichova, O.; Kuty, M.; Sinha, D.; Smatanova, I.K.; Carey, J.; Ettrich, R.; Reha, D.: Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA. , The Journal of Physical Chemistry B 120 (2016), p. 4867-4877
doi: 10.1021/acs.jpcb.5b11958

Jeoung, J.-H.; Nianios, D.; Fetzner, S.; Dobbek, H.: Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-On O2Ni Complex. , Angewandte Chemie - International Edition 55 (2016), p. 3281-3284
doi: 10.1002/anie.201510741

Mejdrova, I.; Chalupska, D.; Plackova, P.; Mueller, C.; Sala, M.; Klima, M.; Baumlova, A.; Hrebabecky, H.; Prochazkova, E.; Dejmek, M.; Strunin, D.; Weber, J.; Lee, G.; Matousova, M.; Mertlikova-Kaiserova, H.; Ziebuhr, J.; Birkus, G.; Boura, E.; Nencka, R.: Rational Design of Novel Highly Potent and Selective Phosphatidylinositol 4-Kinase III beta (PI4KB) Inhibitors as Broad-Spectrum Antiviral Agents and Tools for Chemical Biology. , Journal of Medicinal Chemistry 60 (2016), p. 100-118
doi: 10.1021/acs.jmedchem.6b01465

Lund, B.A.; Christopeit, T.; Guttormsen, Y.; Bayer, A.; Leiros, H.-K.S.: Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. , Journal of Medicinal Chemistry 59 (2016), p. 5542-5554
doi: 10.1021/acs.jmedchem.6b00660

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.: Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. , Biochemistry 55 (2016), p. 2992-3006
doi: 10.1021/acs.biochem.5b01301

Schiebel, J.; Radeva, N.; Krimmer, S.G.; Wang, X.; Stieler, M.; Ehrmann, F.R.; Fu, K.; Metz, A.; Huschmann, F.U.; Weiss, M.S.; Mueller, U.; Heine, A.; Klebe, G.: Six Biophysical Screening Methods Miss a Large Proportion of Crystallographically Discovered Fragment Hits: A Case Study. , ACS Chemical Biology 11 (2016), p. 1693-1701
doi: 10.1021/acschembio.5b01034

Werten, S.; Kohler, C.; Bayer, N.J.; Steinmetz, I.; Hinrichs, W.: Structural analysis and knock-out of a Burkholderia pseudomallei homolog of the eukaryotic transcription coactivator PC4. , Gene 577 (2016), p. 140-147
doi: 10.1016/j.gene.2015.11.037

Koval, T.; Ostergaard, L.H.; Lehmbeck, J.; Norgaard, A.; Lipovova, P.; Duskova, J.; Skalova, T.; Trundova, M.; Kolenko, P.; Fejfarova, K.; Stransky, J.; Svecova, L.; Hasek, J.; Dohnalek, J.: Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. , PLoS One 11 (2016), p. e0168832/1-25
doi: 10.1371/journal.pone.0168832

Banthiya, S.; Kalms, J.; Yoga Galemou, E.; Ivanov, I.; Carpena, X.; Hamberg, M.; Kuhn, H.; Scheerer, P.: Structural and functional basis of phospholipid oxygenase activity of bacterial lipoxygenase from Pseudomonas aeruginosa. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1861 (2016), p. 1681-1692
doi: 10.1016/j.bbalip.2016.08.002

Hall, M.; Grundstrom, C.; Begum, A.; Lindberg, M.J.; Sauer, U.H.; Almqvist, F.; Johansson, J.; Sauer-Eriksson, A.E.: Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 113 (2016), p. 14733-14738
doi: 10.1073/pnas.1614028114

Thorsell, A.G.; Ekblad, T.; Karlberg, T.; Löw, M.; Pinto, A.F.; Tresaugues, L.; Moche, M.; Cohen, M.S.; Schüler, H.: Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. , Journal of Medicinal Chemistry 60 (2016), p. 1262-1271
doi: 10.1021/acs.jmedchem.6b00990

Zak, K.M.; Grudnik, P.; Guzik, K.; Zieba, B.J.; Musielak, B.; Dömling, A.; Dubin, G.; Holak, T.A.: Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1). , OncoTarget 7 (2016), p. 30323-30335
doi: 10.18632/oncotarget.8730

Hänzelmann, P.; Schindelin, H.: Structural Basis of ATP Hydrolysis and Intersubunit Signaling in the AAA+ ATPase p97. , Structure 24 (2016), p. 127-139
doi: 10.1016/j.str.2015.10.026

Balaev, V.V.; Lashkov, A.A.; Gabdulkhakov, A.G.; Dontsova, M.V.; Seregina, T.A.; Mironov, A.S.; Betzel, C.; Mikhailov, A.M.: Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 224-233
doi: 10.1107/S2053230X1600162X

Tishchenko, S.; Gabdulkhakov, A.; Melnik, B.; Kudryakova, I.; Latypov, O.; Vasilyeva, N.; Leontievsky, A.: Structural Studies of Component of Lysoamidase Bacteriolytic Complex from Lysobacter sp XL1. , The Protein Journal 35 (2016), p. 44-50
doi: 10.1007/s10930-015-9645-7

Schaefer, C.; Bommer, M.; Hennig, S.E.; Jeoung, J.-H.; Dobbek, H.; Lenz, O.: Structure of an Actinobacterial-Type [NiFe]-Hydrogenase Reveals Insight into O2-Tolerant H2 Oxidation. , Structure 24 (2016), p. 285-292
doi: 10.1016/j.str.2015.11.010

Revtovich, S.; Anufrieva, N.; Morozova, E.; Kulikova, V.; Nikulin, A.; Demidkina, T.: Structure of methionine gamma-lyase from Clostridium sporogenes. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 65-71
doi: 10.1107/S2053230X15023869

Weiße, R.H.-J.; Faust, A.; Schmidt, M.; Schönheit, P.; Scheidig, A.J.: Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 113 (2016), p. E519-E528
doi: 10.1073/pnas.1518614113

Fiebig, D.; Schmelz, S.; Zindel, S.; Ehret, V.; Beck, J.; Ebenig, A.; Ehret, M.; Fröls, S.; Pfeifer, F.; Kolmar, H.; Fuchsbauer, H.L.; Scrima, A.: Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase. , Journal of Biological Chemistry 291 (2016), p. 20417-20426
doi: 10.1074/jbc.M116.731109

Zech, R.; Kiontke, S.; Mueller, U.; Oeckinghaus, A.; Kuemmel, D.: Structure of the Tuberous Sclerosis Complex 2 (TSC2) N Terminus Provides Insight into Complex Assembly and Tuberous Sclerosis Pathogenesis. , Journal of Biological Chemistry 291 (2016), p. 20008-20020
doi: 10.1074/jbc.M116.732446

Dahms, S.O.; Arciniega, M.; Steinmetzer, T.; Huber, R.; Than, M.E.: Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 113 (2016), p. 11196-11201
doi: 10.1073/pnas.1613630113

Huschmann, F.U.; Linnik, J.; Sparta, K.; Ühlein, M.; Wang, X.; Metz, A.; Schiebel, J.; Heine, A.; Klebe, G.; Weiss, M.S.; Mueller, U.: Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 346-355
doi: 10.1107/S2053230X16004623

Balaev, V.V.; Lashkov, A.A.; Prokofev, I.I.; Gabdulkhakov, A.G.; Seregina, T.A.; Mironov, A.S.; Betzel, C.; Mikhailov, A.M.: Substrate Specificity of Pyrimidine Nucleoside Phosphorylases of NP-II Family Probed by X-ray Crystallography and Molecular Modeling. , Crystallography Reports 61 (2016), p. 830-841
doi: 10.1134/S1063774516050023

Nagano, S.; Scheerer, P.; Zubow, K.; Michael, N.; Inomata, K.; Lamparter, T.; Krauss, N.: The Crystal Structures of the N-terminal Photosensory Core Module of Agrobacterium Phytochrome Agp1 as Parallel and Anti-parallel Dimers. , Journal of Biological Chemistry 291 (2016), p. 20674-20691
doi: 10.1074/jbc.M116.739136

Hegemann, J.D.; Fage, C.D.; Zhu, S.; Harms, K.; Di Leva, F.S.; Novellino, E.; Marinelli, L.; Marahiel, M.A.: The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II. , Molecular BioSystems 12 (2016), p. 1106-1109
doi: 10.1039/c6mb00081a

Baumlova, A.; Gregor, J.; Boura, E.: The Structural Basis for Calcium Inhibition of Lipid Kinase PI4K II alpha and Comparison With the Apo State. , Physiological Research 65 (2016), p. 987-993

Lim, S.M.; Yeung, K.; Tresaugues, L.; Ling, T.H.; Nordlund, P.: The structure and catalytic mechanism of human sphingomyelin phosphodiesterase like 3a-an acid sphingomyelinase homologue with a novel nucleotide hydrolase activity. , FEBS Journal 283 (2016), p. 1107-1123
doi: 10.1111/febs.13655

Dahms, S.O.; Creemers, J.W.M.; Schaub, Y.; Bourenkov, G.P.; Zoegg, T.; Brandstetter, H.; Than, M.E.: The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers. , Scientific Reports 6 (2016), p. 34303/1-7
doi: 10.1038/srep34303

Bock, T.; Reichelt, J.; Müller, R.; Blankenfeldt, W.: 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. , ChemBioChem 17 (2016), p. 1658-1664
doi: 10.1002/cbic.201600225

Christopeit, T.; Yang, K.W.; Yang, S.K.; Leiros, H.K.S.: The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 813-819
doi: 10.1107/S2053230X16016113

Ciaccafava, A.; Tombolelli, D.; Domnik, L.; Fesseler, J.; Jeoung, J.H.; Dobbek, H.; Mroginski, M.A.; Zebger, I.; Hildebrandt, P.: When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase. , Chemical Science 7 (2016), p. 3162-3171
doi: 10.1039/c5sc04554a

Prokofev, I.I.; Lashkov, A.A.; Gabdulkhakov, A.G.; Balaev, V.V.; Seregina, T.A.; Mironov, A.S.; Betzel, C.; Mikhailov, A.M.: 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. , Crystallography Reports 61 (2016), p. 954-973
doi: 10.1134/S1063774516060134

Sparta, K.; Krug, M.; Heinemann, U.; Mueller, U.; Weiss, M.S.: XDSAPP 2.0. , Journal of Applied Crystallography 49 (2016), p. 1085-1092
doi: 10.1107/S1600576716004416

2015

Opitz, R.; Mueller, M.; Reuter, C.; Barone, M.; Soicke, A.; Roske, Y.; Piotukh, K.; Huy, P.; Beerbaum, M.; Wiesner, B.; Beyermann, M.; Schmieder, P.; Freund, C.; Volkmer, R.; Oschkinat, H.; Schmalz, H.-G.; Kuehne, R.: A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 112 (2015), p. 5011-5016
doi: 10.1073/pnas.1422054112

Banerjee, A.; Adolph, R.S.; Gopalakrishnapai, J.; Kleinboelting, S.; Emmerich, C.; Steegborn, C.; Visweswariah, S.S.: A Universal Stress Protein (USP) in Mycobacteria Binds cAMP. , Journal of Biological Chemistry 290 (2015), p. 12731-12743
doi: 10.1074/jbc.M115.644856

Gorgel, M.; Boggild, A.; Jensen Ulstrup, J.; Weiss, M.S.; Mueller, U.; Nissen, P.; Boesen, T.: Against the odds? De novo structure determination of a pilin with two cysteine residues by sulfur SAD. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 1095-1101
doi: 10.1107/S1399004715003272

Manszewski, T.; Singh, K.; Imiolczyk, B.; Jaskolski, M.: An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 2422-2432
doi: 10.1107/S1399004715018659

Schiebel, J.; Chang, A.; Merget, B.; Bommineni, G.R.; Yu, W.; Spagnuolo, L.A.; Baxter, M.V.; Tareilus, M.; Tonge, P.J.; Kisker, C.; Sotriffer, C.A.: An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. , Biochemistry 54 (2015), p. 1943–1955
doi: 10.1021/bi5014358

Arkhipova, V.; Stolboushkina, E.; Kravchenko, O.; Kljashtorny, V.; Gabdulkhakov, A.; Garber, M.; Nikonov, S.; Maertens, B.; Blaesi, U.; Nikonov, O.: Binding of the 5 '-Triphosphate End of mRNA to the gamma-Subunit of Translation Initiation Factor 2 of the Crenarchaeon Sulfolobus solfataricus. , Journal of Molecular Biology : jmb 427 (2015), p. 3086-3095
doi: 10.1016/j.jmb.2015.07.020

Kloos, M.; Brueser, A.; Kirchberger, J.; Schoeneberg, T.; Straeter, N.: Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation. , Biochemical Journal 469 (2015), p. 421-432
doi: 10.1042/BJ20150251

Walzer, S.A.; Egerer-Sieber, C.; Sticht, H.; Sevvana, M.; Hohl, K.; Milbradt, J.; Muller, Y.A.; Marschall, M.: Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Core Nuclear Egress Complex Provides Insight into a Unique Assembly Scaffold for Virus-Host Protein Interactions. , Journal of Biological Chemistry 290 (2015), p. 27452-27458
doi: 10.1074/jbc.C115.686527

Iermak, I.; Degtjarik, O.; Steffler, F.; Sieber, V.; Kuta Smatanova, I.: Crystallization behaviour of glyceraldehyde dehydrogenase from Thermoplasma acidophilum. , Acta Crystallographica Section F - Structural Biology Communications 71 (2015), p. 1475-80
doi: 10.1107/S2053230X15020270

Stevens, Tammo: Crystallographic Investigations on the Photosensory Core Module of Agrobacterium tumefaciens Phytochrome 2 (Agp2). , Berlin, Freie Universität Berlin, Bachelor, 2015

Maric, H.M.; Kasaragod, V.B.; Haugaard-Kedstrom, L.; Hausrat, T.J.; Kneussel, M.; Schindelin, H.; Stromgaard, K.: Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors. , Angewandte Chemie - International Edition 54 (2015), p. 490-494
doi: 10.1002/anie.201409043

Borišek, J.; Vizovišek, M.; Sosnowski, P.; Turk, B.; Turk, D.; Mohar, B.: Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. , Journal of Medicinal Chemistry 58 (2015), p. 6928-6937
doi: 10.1021/acs.jmedchem.5b00746

Zühlsdorf, M.; Werten, S.; Klupp, B.G.; Palm, G.J.; Mettenleiter, T.C.; Hinrichs, W.: Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin pUL26N, a Herpesvirus Serine Protease. , PLoS Pathogens 11 (2015), p. e1005045/1-23
doi: 10.1371/journal.ppat.1005045

Kroon, E.; Schulze, J.O.; Suess, E.; Camacho, C.J.; Biondi, R.M.; Domling, A.: Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods. , Angewandte Chemie - International Edition 54 (2015), p. 13933-13936
doi: 10.1002/anie.201506310

Vit, A.; Misson, L.; Blankenfeldt, W.; Seebeck, F.P.: Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. , ChemBioChem 16 (2015), p. 119-125
doi: 10.1002/cbic.201402522

Schaefer, C.M.; Lu, R.; Nesbitt, N.M.; Schiebel, J.; Sampson, N.S.; Kisker, C.: FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis. , Structure 23 (2015), p. 21-33
doi: 10.1016/j.str.2014.10.010

Graczer, E.; Pallo, A.; Olah, J.; Szimler, T.; Konarev, P.V.; Svergun, D.I.; Merli, A.; Zavodszky, P.; Weiss, M.S.; Vas, M.: Glutamate 270 plays an essential role in K+-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase. , FEBS Letters 589 (2015), p. 240-245
doi: 10.1016/j.febslet.2014.12.005

Grabowska, M.; Jagielska, E.; Czapinska, H.; Bochtler, M.; Sabala, I.: High resolution structure of an M23 peptidase with a substrate analogue. , Scientific Reports 5 (2015), p. 14833/1-8
doi: 10.1038/srep14833

Kudlinzki, D.; Linhard, V.L.; Saxena, K.; Sreeramulu, S.; Gande, S.; Schieborr, U.; Dreyer, M.; Schwalbe, H.: High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus. , Acta Crystallographica Section F - Structural Biology Communications 71 (2015), p. 1088-1093
doi: 10.1107/S2053230X1501242X

Zimmermann, S.; Pfennig, S.; Neumann, P.; Yonus, H.; Weininger, U.; Kovermann, M.; Balbach, J.; Stubbs, M.T.: High-resolution structures of the D-alanyl carrier protein (Dcp) DltC from Bacillus subtilis reveal equivalent conformations of apo- and holo-forms. , FEBS Letters 589 (2015), p. 2283-2289
doi: 10.1016/j.febslet.2015.07.008

Giardina, G.; Brunotti, P.; Fiascarelli, A.; Cicalini, A.; Costa, M.G.S.; Buckle, A.M.; di Salvo, M.L.; Giorgi, A.; Marani, M.; Paone, A.; Rinaldo, S.; Paiardini, A.; Contestabile, R.; Cutruzzola, F.: How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state. , FEBS Journal 282 (2015), p. 1225-1241
doi: 10.1111/febs.13211

Fesseler, J.; Jeoung, J.-H.; Dobbek, H.: How the [NiFe4S4] Cluster of CO Dehydrogenase Activates CO2 and NCO-. , Angewandte Chemie - International Edition 54 (2015), p. 8560-8564
doi: 10.1002/anie.201501778

Dahms, S.O.; Mayer, M.C.; Roeser, D.; Multhaup, G.; Than, M.E.: Interaction of the amyloid precursor protein-like protein 1 (APLP1) E2 domain with heparan sulfate involves two distinct binding modes. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 494-504
doi: 10.1107/S1399004714027114

Kraushaar, T.; Bruckner, S.; Veelders, M.; Rhinow, D.; Schreiner, F.; Birke, R.; Pagenstecher, A.; Mösch, H.; Essen, L.: Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands. , Structure 23 (2015), p. 1005-1017
doi: 10.1016/j.str.2015.03.021

Rothweiler, U.; Eriksson, J.; Stensen, W.; Leeson, F.; Engh, R.A.; Svendsen, J.S.: Luciferin and derivatives as a DYRK selective scaffold for the design of protein kinase inhibitors. , European Journal of Medicinal Chemistry 94 (2015), p. 140–148
doi: 10.1016/j.ejmech.2015.02.035

Rose, J.P.; Wang, B.-C.; Weiss, M.S.: Native SAD is maturing. , IUCrJ 2 (2015), p. 431-440
doi: 10.1107/S2052252515008337

Hardes, K.; Becker, G.L.; Lu, Y.; Dahms, S.O.; Köhler, S.; Beyer, W.; Sandvig, K.; Yamamoto, H.; Lindberg, I.; Walz, L.; von Messling, V.; Than, M.E.; Garten, W.; Steinmetzer, T.: Novel Furin Inhibitors with Potent Anti-infectious Activity. , ChemMedChem 10 (2015), p. 1218-1231
doi: 10.1002/cmdc.201500103

Stransky, J.; Koval', T.; Podzimek, T.; Tycova, A.; Lipovova, P.; Matousek, J.; Kolenko, P.; Fejfarova, K.; Duskova, J.; Skalova, T.; Hasek, J.; Dohnalek, J.: Phosphate binding in the active centre of tomato multifunctional nuclease TBN1 and analysis of superhelix formation by the enzyme. , Acta Crystallographica Section F - Structural Biology Communications 71 (2015), p. 1408-1415
doi: 10.1107/S2053230X15018324

Kuhnert, M.; Blum, A.; Steuber, H.; Diederich, W.E.: Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C-2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. , Journal of Medicinal Chemistry 58 (2015), p. 4845-4850
doi: 10.1021/acs.jmedchem.5b00346

Osadnik, H.; Schoepfel, M.; Heidrich, E.; Mehner, D.; Lilie, H.; Parthier, C.; Risselada, H.J.; Grubmueller, H.; Stubbs, M.T.; Brueser, T.: PspF-binding domain PspA(1-144) and the PspA center dot F complex: New insights into the coiled-coil-dependent regulation of AAA plus proteins. , Molecular Microbiology 98 (2015), p. 743-759
doi: 10.1111/mmi.13154

Grosskopf, S.; Eckert, C.; Arkona, C.; Radetzki, S.; Boehm, K.; Heinemann, U.; Wolber, G.; von Kries, J.-P.; Birchmeier, W.; Rademann, J.: Selective Inhibitors of the Protein Tyrosine Phosphatase SHP2 Block Cellular Motility and Growth of Cancer Cells in vitro and in vivo. , ChemMedChem 10 (2015), p. 815-826
doi: 10.1002/cmdc.201500015

Glow, D.; Pianka, D.; Sulej, A.A.; Kozlowski, L.P.; Czarnecka, J.; Chojnowski, G.; Skowronek, K.J.; Bujnicki, J.M.: Sequence-specific cleavage of dsRNA by Mini-III RNase. , Nucleic Acids Research 43 (2015), p. 2864-2873
doi: 10.1093/nar/gkv009

Skalden, L.; Thomsen, M.; Hoehne, M.; Bornscheuer, U.T.; Hinrichs, W.: Structural and biochemical characterization of the dual substrate recognition of the (R)-selective amine transaminase from Aspergillus fumigatus. , FEBS Journal 282 (2015), p. 407-415
doi: 10.1111/febs.13149

Leiros, H.-K.S.; Edvardsen, K.S.W.; Bjerga, G.E.K.; Samuelsen, O.: Structural and biochemical characterization of VIM-26 show that Leu224 has implications for the substrate specificity of VIM metallo-β-lactamases. , FEBS Journal 282 (2015), p. 1031-1042
doi: 10.1111/febs.13200

Trubitsina, L.I.; Tishchenko, S.V.; Gabdulkhakov, A.G.; Lisov, A.V.; Zakharova, M.V.; Leontievsky, A.A.: Structural and functional characterization of two-domain laccase from Streptomyces viridochromogenes. , Biochimie 112 (2015), p. 151-159
doi: 10.1016/j.biochi.2015.03.005

Gaur, V.; Wyatt, H.D.M.; Komorowska, W.; Szczepanowski, R.H.; de Sanctis, D.; Gorecka, K.M.; West, S.C.; Nowotny, M.: Structural and Mechanistic Analysis of the Slx1-Slx4 Endonuclease. , Cell Reports 10 (2015), p. 1467-1476
doi: 10.1016/j.celrep.2015.02.019

Griese, J.J.; Kositzki, R.; Schrapers, P.; Branca, R.M.M.; Nordstrom, A.; Lehtio, J.; Haumann, M.; Hogbom, M.: Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor. , Journal of Biological Chemistry 290 (2015), p. 25254-25272
doi: 10.1074/jbc.M115.675223

Rinaldo, S.; Paiardini, A.; Stelitano, V.; Brunotti, P.; Cervoni, L.; Fernicola, S.; Protano, C.; Vitali, M.; Cutruzzola, F.; Giardina, G.: Structural Basis of Functional Diversification of the HD-GYP Domain Revealed by the Pseudomonas aeruginosa PA4781 Protein, Which Displays an Unselective Bimetallic Binding Site. , Journal of Bacteriology 197 (2015), p. 1525-1535
doi: 10.1128/JB.02606-14

Diderrich, R.; Kock, M.; Maestre-Reyna, M.; Keller, P.; Steuber, H.; Rupp, S.; Essen, L.-O.; Moesch, H.-U.: Structural Hotspots Determine Functional Diversity of the Candida Glabrata Epithelial Adhesin Family. , Journal of Biological Chemistry 290 (2015), p. 19597-19613
doi: 10.1074/jbc.M115.655654

Fillenberg, S.B.; Grau, F.C.; Seidel, G.; Muller, Y.A.: Structural insight into operator dre-sites recognition and effector binding in the GntR/HutC transcription regulator NagR. , Nucleic Acids Research 43 (2015), p. 1283-1296
doi: 10.1093/nar/gku1374

Houser, J.; Komarek, J.; Cioci, G.; Varrot, A.; Imberty, A.; Wimmerova, M.: Structural insights into Aspergillus fumigatus lectin specificity: AFL binding sites are functionally non-equivalent. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 442-453
doi: 10.1107/S1399004714026595

Thomsen, M.; Tuukkanen, A.; Dickerhoff, J.; Palm, G.J.; Kratzat, H.; Svergun, D.I.; Weisz, K.; Bornscheuer, U.T.; Hinrichs, W.: Structure and catalytic mechanism of the evolutionarily unique bacterial chalcone isomerase. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 907-917
doi: 10.1107/S1399004715001935

Zak, K.M.; Kitel, R.; Przetocka, S.; Golik, P.; Guzik, K.; Musielak, B.; Domling, A.; Dubin, G.; Holak, T.A.: Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1. , Structure 23 (2015), p. 2341-2348
doi: 10.1016/j.str.2015.09.010

Vit, A.; Mashabela, G.T.; Blankenfeldt, W.; Seebeck, F.P.: Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC. , ChemBioChem 16 (2015), p. 1490-1496
doi: 10.1002/cbic.201500168

Possner, D.D.D.; Claesson, M.; Guy, J.E.: Structure of the Glycosyltransferase Ktr4p from Saccharomyces cerevisiae. , PLoS One 10 (2015), p. e0136239/1-16
doi: 10.1371/journal.pone.0136239

Goncharenko, K.V.; Vit, A.; Blankenfeldt, W.; Seebeck, F.P.: Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway. , Angewandte Chemie - International Edition 54 (2015), p. 2821-2824
doi: 10.1002/anie.201410045

Pachl, P.; Simak, O.; Rezacova, P.; Fabry, M.; Budesinsky, M.; Rosenberg, I.; Brynda, J.: Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor. , MedChemComm 6 (2015), p. 1635-1638
doi: 10.1039/c5md00235d

Schubert, A.; Wrase, R.; Hilgenfeld, R.; Hansen, G.: Structures of DegQ from Legionella pneumophila Define Distinct ON and OFF States. , Journal of Molecular Biology : jmb 427 (2015), p. 2840-2851
doi: 10.1016/j.jmb.2015.06.023

Kling, A.; Lukat, P.; Almeida, D.V.; Bauer, A.; Fontaine, E.; Sordello, S.; Zaburannyi, N.; Herrmann, J.; Wenzel, S.C.; Koenig, C.; Ammerman, N.C.; Barrio, M.B.; Borchers, K.; Bordon-Pallier, F.; Broenstrup, M.; Courtemanche, G.; Gerlitz, M.; Geslin, M.; Hammann, P.; Heinz, D.W.; Hoffmann, H.; Klieber, S.; Kohlmann, M.; Kurz, M.; Lair, C.; Matter, H.; Nuermberger, E.; Tyagi, S.; Fraisse, L.; Grosset, J.H.; Lagrange, S.; Mueller, R.: Targeting DnaN for tuberculosis therapy using novel griselimycins. , Science 348 (2015), p. 1106-1112
doi: 10.1126/science.aaa4690

Lange, A.; Günther, M.; Büttner, F.M.; Zimmermann, M.O.; Heidrich, J.; Hennig, S.; Zahn, S.; Schall, C.; Sievers-Engler, A.; Koch, P.; Laemmerhofer, M.; Stehle, T.; Laufer, S.A.; Boeckler, F.M.: Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. , Journal of the American Chemical Society 137 (2015), p. 14640-14652
doi: 10.1021/jacs.5b07090

Hellert, J.; Weidner-Glunde, M.; Krausze, J.; Luensdorf, H.; Ritter, C.; Schulz, T.F.; Lührs, T.: The 3D structure of Kaposi sarcoma herpesvirus LANA C-terminal domain bound to DNA. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 112 (2015), p. 6694-6699
doi: 10.1073/pnas.1421804112

Lohöfener, J.; Steinke, N.; Kay-Fedorov, P.; Baruch, P.; Nikulin, A.; Tishchenko, S.; Manstein, D.J.; Fedorov, R.: The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. , Structure 23 (2015), p. 851-862
doi: 10.1016/j.str.2015.03.012

Hoefgen, S.; Dahms, S.O.; Oertwig, K.; Than, M.E.: The Amyloid Precursor Protein Shows a pH-Dependent Conformational Switch in Its E1 Domain. , Journal of Molecular Biology : jmb 427 (2015), p. 433-442
doi: 10.1016/j.jmb.2014.12.005

Fufina, T.Y.; Vasilieva, L.G.; Gabdulkhakov, A.G.; Shuvalov, V.A.: The L(M196)H mutation in Rhodobacter sphaeroides reaction center results in new electrostatic interactions. , Photosynthesis Research 125 (2015), p. 23-29
doi: 10.1007/s11120-014-0062-0

Mueller, U.; Förster, R.; Hellmig, M.; Huschmann, F.U.; Kastner, A.; Malecki, P.; Pühringer, S.; Röwer, M.; Sparta, K.; Steffien, M.; Ühlein, M.; Wilk, P.; Weiss, M.S.: The macromolecular crystallography beamlines at BESSY II of the Helmholtz-Zentrum Berlin: Current status and perspectives. , The European Physical Journal Plus : EPJ Plus 130 (2015), p. 141/1-10
doi: 10.1140/epjp/i2015-15141-2

Guez-Haddad, J.; Sporny, M.; Sasson, Y.; Gevorkyan-Airapetov, L.; Lahav-Mankovski, M.; Margulies, D.; Radzimanowski, J.; Opatowsky, Y.: The Neuronal Migration Factor srGAP2 Achieves Specificity in Ligand Binding through a Two-Component Molecular Mechanism. , Structure 23 (2015), p. 1989–2000
doi: 10.1016/j.str.2015.08.009

Alexeeva, M.; Åberg, E.; Engh, R.A.; Rothweiler, U.: The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals di­sulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 1207–1215
doi: 10.1107/S1399004715005106

Caraballo, R.; Saleeb, M.; Bauer, J.; Liaci, A.M.; Chandra, N.; Storm, R.J.; Frangsmyr, L.; Qian, W.; Stehle, T.; Arnberg, N.; Elofsson, M.: Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells. , Organic & Biomolecular Chemistry 13 (2015), p. 9194-9205
doi: 10.1039/c5ob01025j

2014

Zurga, S.; Pohleven, J.; Renko, M.; Bleuler-Martinez, S.; Sosnowski, P.; Turk, D.; Künzler, M.; Kos, J.; Sabotic, J.: A novel β-trefoil lectin from the parasol mushroom (Macrolepiota procera) is nematotoxic. , FEBS Journal 281 (2014), p. 3489-3506
doi: 10.1111/febs.12875

Genz, M.; Koehler, V.; Krauss, M.; Singer, D.; Hoffmann, R.; Ward, T.R.; Sträter, N.: An Artificial Imine Reductase based on the Ribonuclease S Scaffold. , ChemCatChem 6 (2014), p. 736-740
doi: 10.1002/cctc.201300995

Streib, M.; Kraeling, K.; Richter, K.; Xie, X.; Steuber, H.; Meggers, E.: An Organometallic Inhibitor for the Human Repair Enzyme 7,8-Dihydro-8-oxoguanosine Triphosphatase. , Angewandte Chemie - International Edition 53 (2014), p. 305-309
doi: 10.1002/anie.201307849

Seul, A.; Müller, J.J.; Andres, D.; Stettner, E.; Heinemann, U.; Seckler, R.: Bacteriophage P22 tailspike: structure of the complete protein and function of the interdomain linker. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1336-1345
doi: 10.1107/S1399004714002685

Stsiapanava, A.; Olsson, U.; Wan, M.; Kleinschmidt, T.; Rutishauser, D.; Zubarev, R.A.; Samuelsson, B.; Rinaldo-Matthis, A.; Haeggström, J.Z.: Binding of Pro-Gly-Pro at the active site of leukotriene A(4) hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 111 (2014), p. 4227-4232
doi: 10.1073/pnas.1402136111

Roessler, C.; Nowak, T.; Pannek, M.; Gertz, M.; Nguyen, G.T.T.; Scharfe, M.; Born, I.; Sippl, W.; Steegborn, C.; Schutkowski, M.: Chemical Probing of the Human Sirtuin 5 Active Site Reveals Its Substrate Acyl Specificity and Peptide-Based Inhibitors. , Angewandte Chemie - International Edition 53 (2014), p. 10728-10732
doi: 10.1002/anie.201402679

Kestler, C.; Knobloch, G.; Tessmer, I.; Jeanclos, E.; Schindelin, H.; Gohla, A.: Chronophin Dimerization is Required for Proper Positioning of its Substrate Specificity Loop. , Journal of Biological Chemistry 289 (2014), p. 3094-3103
doi: 10.1074/jbc.M113.536482

Nikonov, O.; Stolboushkina, E.; Arkhipova, V.; Kravchenko, O.; Nikonov, S.; Garber, M.: Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 658-667
doi: 10.1107/S1399004713032240

Simak, O.; Pachl, P.; Fabry, M.; Budesinsky, M.; Jandusik, T.; Hnizda, A.; Sklenickova, R.; Petrova, M.; Veverka, V.; Rezacova, P.; Brynda, J.; Rosenberg, I.: Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. , Organic & Biomolecular Chemistry 12 (2014), p. 7971-7982
doi: 10.1039/c4ob01332h

Tziridis, A.; Rauh, D.; Neumann, P.; Kolenko, P.; Menzel, A.; Bräuer, U.; Ursel, C.; Steinmetzer, P.; Stürzebecher, J.; Schweinitz, A.; Steinmetzer, T.; Stubbs, M.T.: Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. , Biological Chemistry 395 (2014), p. 891-903
doi: 10.1515/hsz-2014-0158

Neumann, P.; Lakomek, K.; Naumann, P.-T.; Erwin, W.M.; Lauhon, C.T.; Ficner, R.: Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification. , Nucleic Acids Research 42 (2014), p. 6673-6685
doi: 10.1093/nar/gku249

Scherer, M.; Klingl, S.; Sevvana, M.; Otto, V.; Schilling, E.-M.; Stump, J.D.; Müller, R.; Reuter, N.; Sticht, H.; Muller, Y.A.; Stamminger, T.: Crystal Structure of Cytomegalovirus IE1 Protein Reveals Targeting of TRIM Family Member PML via Coiled-Coil Interactions. , PLoS Pathogens 10 (2014), p. e1004512/1-18
doi: 10.1371/journal.ppat.1004512

Dowiercial, A.; Wilk, P.; Rypniewski, W.; Rode, W.; Jarmula, A.: Crystal Structure of Mouse Thymidylate Synthase in Tertiary Complex with dUMP and Raltitrexed Reveals N-Terminus Architecture and Two Different Active Site Conformations. , Biomed Research International 2014 (2014), p. 945803/1-7
doi: 10.1155/2014/945803

Zebisch, M.; Baqi, Y.; Schäfer, P.; Müller, C.E.; Sträter, N.: Crystal structure of NTPDase2 in complex with the sulfoanthraquinone inhibitor PSB-071. , Journal of Structural Biology 185 (2014), p. 336-341
doi: 10.1016/j.jsb.2014.01.005

Wilk, P.; Jarmula, A.; Ruman, T.; Banaszak, K.; Rypniewski, W.; Ciesla, J.; Dowiercial, A.; Rode, W.: Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer. , Bioorganic Chemistry 52 (2014), p. 44-49
doi: 10.1016/j.bioorg.2013.11.003

Figiel, M.; Nowotny, M.: Crystal structure of RNase H3-substrate complex reveals parallel evolution of RNA/DNA hybrid recognition. , Nucleic Acids Research 42 (2014), p. 9285-9294
doi: 10.1093/nar/gku615

Sabala, I.; Jagielska, E.; Bardelang, P.T.; Czapinska, H.; Dahms, S.O.; Sharpe, J.A.; James, R.; Than, M.E.; Thomas, N.R.; Bochtler, M.: Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans. , FEBS Journal 281 (2014), p. 4112-4122
doi: 10.1111/febs.12929

Mietus, M.; Nowak, E.; Jaciuk, M.; Kustosz, P.; Studnicka, J.; Nowotny, M.: Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. , Nucleic Acids Research 42 (2014), p. 10762-10775
doi: 10.1093/nar/gku729

Wang, C.; Gohlke, U.; Roske, Y.; Heinemann, U.: Crystal structure of the yeast TRAPP-associated protein Tca17. , FEBS Journal 281 (2014), p. 4195-4206
doi: 10.1111/febs.12888

Kleinboelting, S.; Diaz, A.; Moniot, S.; van den Heuvel, J.; Weyand, M.; Levin, L.R.; Buck, J.; Steegborn, C.: Crystal structures of human soluble adenylyl cyclase reveal mechanisms of catalysis and of its activation through bicarbonate. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 111 (2014), p. 3727-3732
doi: 10.1073/pnas.1322778111

Niegowski, D.; Kleinschmidt, T.; Olsson, U.; Ahmad, S.; Rinaldo-Matthis, A.; Haeggstrom, J.Z.: Crystal Structures of Leukotriene C-4 Synthase in Complex with Product Analogs. , Journal of Biological Chemistry 289 (2014), p. 5199-5207
doi: 10.1074/jbc.M113.534628

Monecke, T.; Buschmann, J.; Neumann, P.; Wahle, E.; Ficner, R.: Crystal Structures of the Novel Cytosolic 5 '-Nucleotidase IIIB Explain Its Preference for m(7)GMP. , PLoS One 9 (2014), p. e90915/1-13
doi: 10.1371/journal.pone.0090915

Lehneck, R.; Neumann, P.; Vullo, D.; Elleuche, S.; Supuran, C.T.; Ficner, R.; Poeggeler, S.: Crystal structures of two tetrameric β-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. , FEBS Journal 281 (2014), p. 1759-1772
doi: 10.1111/febs.12738

Kloos, M.; Brüser, A.; Kirchberger, J.; Schöneberg, T.; Sträter, N.: Crystallization and preliminary crystallographic analysis of human muscle phosphofructokinase, the main regulator of glycolysis. , Acta Crystallographica Section F - Structural Biology Communications 70 (2014), p. 578-582
doi: 10.1107/S2053230X14008723

Suhre, M.H.; Scheibel, T.; Steegborn, C.; Gertz, M.: Crystallization and preliminary X-ray diffraction analysis of proximal thread matrix protein 1 (PTMP1) from Mytilus galloprovincialis. , Acta Crystallographica Section F - Structural Biology Communications 70 (2014), p. 769-772
doi: 10.1107/S2053230X14006165

Arkhipova, V.I.; Stolboushkina, E.A.; Nikonov, O.S.; Gabdulkhakov, A.G.; Garber, M.B.: Crystallization of mutant forms of the γ subunit of archaeal translation initiation factor 2. , Crystallography Reports 59 (2014), p. 71-74
doi: 10.1134/S1063774514010027

Thomsen, M.; Skalden, L.; Palm, G.J.; Höhne, M.; Bornscheuer, U.T.; Hinrichs, W.: Crystallographic characterization of the (R)-selective amine transaminase from Aspergillus fumigatus. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1086-1093
doi: 10.1107/S1399004714001084

Sykora, J.; Brezovsky, J.; Koudelakova, T.; Lahoda, M.; Fortova, A.; Chernovets, T.; Chaloupkova, R.; Stepankova, V.; Prokop, Z.; Kuta Smatanova, I.; Hof, M.; Damborsky, J.: Dynamics and hydration explain failed functional transformation in dehalogenase design. , Nature Chemical Biology 10 (2014), p. 428-430
doi: 10.1038/nchembio.1502

Murina, V.N.; Melnik, B.S.; Filimonov, V.V.; Ühlein, M.; Weiss, M.S.; Müller, U.; Nikulin, A.D.: Effect of conserved intersubunit amino acid substitutions on Hfq protein structure and stability. , Biochemistry (Moscow) = Biokhimiya 79 (2014), p. 469-477
doi: 10.1134/S0006297914050113

Kuhle, B.; Ficner, R.: eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining. , The EMBO Journal 33 (2014), p. 1177-1191
doi: 10.1002/embj.201387344

Avella, G.; Ardiccioni, C.; Scaglione, A.; Moschetti, T.; Rondinelli, C.; Montemiglio, L.C.; Savino, C.; Giuffre, A.; Brunori, M.; Vallone, B.: Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1640-1648
doi: 10.1107/S1399004714007032

Williamson, A.; Rothweiler, U.; Schroder Leiros, H.-K.: Enzyme-adenylate structure of a bacterial ATP-dependent DNA ligase with a minimized DNA-binding surface. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 3043-3056
doi: 10.1107/S1399004714021099

Neznansky, A.; Opatowsky, Y.: Expression, purification and crystallization of the phosphate-binding PstS protein from Pseudomonas aeruginosa. , Acta Crystallographica Section F - Structural Biology Communications 70 (2014), p. 906-910
doi: 10.1107/S2053230X14010279

Kleinboelting, S.; van den Heuvel, J.; Kambach, C.; Weyand, M.; Leipelt, M.; Steegborn, C.: Expression, purification, crystallization and preliminary X-ray diffraction analysis of a mammalian type 10 adenylyl cyclase. , Acta Crystallographica Section F - Structural Biology Communications 70 (2014), p. 467-469
doi: 10.1107/S2053230X14004014

Wisniewska, M.; Happonen, L.; Kahn, F.; Varjosalo, M.; Malmström, L.; Rosenberger, G.; Karlsson, C.; Cazzamali, G.; Pozdnyakova, I.; Frick, I.-M.; Björck, L.; Streicher, W.; Malmström, J.; Wikström, M.: Functional and Structural Properties of a Novel Protein and Virulence Factor (Protein sHIP) in Streptococcus pyogenes. , Journal of Biological Chemistry 289 (2014), p. 18175-18188
doi: 10.1074/jbc.M114.565978

Florin, N.; Schiemann, O.; Hagelueken, G.: High-resolution crystal structure of spin labelled (T21R1) azurin from Pseudomonas aeruginosa: a challenging structural benchmark for in silico spin labelling algorithms. , BMC Structural Biology 14 (2014), p. 1-10
doi: 10.1186/1472-6807-14-16

Leiros, H.-K.S.; Skagseth, S.; Waade Edvardsen, K.S.; Lorentzen, M.S.; Bjerga, G.E.K.; Leiros, I.; Samuelsen, O.: His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency of the Metallo-beta-Lactamase VIM-7. , Antimicrobial Agents and Chemotherapy 58 (2014), p. 4826-4836
doi: 10.1128/AAC.02735-13

Galilee, M.; Alian, A.: Identification of Phe187 as a Crucial Dimerization Determinant Facilitates Crystallization of a Monomeric Retroviral Integrase Core Domain. , Structure 22 (2014), p. 1512-1519
doi: 10.1016/j.str.2014.08.001

Gad, H.; Koolmeister, T.; Jemth, A.-S.; Eshtad, S.; Jacques, S.A.; Strom, C.E.; Svensson, L.M.; Schultz, N.; Lundbäck, T.; Einarsdottir, B.O.; Saleh, A.; Göktürk, C.; Baranczewski, P.; Svensson, R.; Berntsson, R.P.-A.; Gustafsson, R.; Strömberg, K.; Sanjiv, K.; Jacques-Cordonnier, M.-C.; Desroses, M.; Gustavsson, A.-L.; Olofsson, R.; Johansson, F.; Homan, E.J.; Loseva, O.; Bräutigam, L.; Johansson, L.; Höglund, A.; Hagenkort, A.; Pham, T.; Altun, M.; Gaugaz, F.Z.; Vikingsson, S.; Evers, B.; Henriksson, M.; Vallin, K.S.A.; Wallner, O.A.; Hammarström, L.G.J.; Wiita, E.; Almlöf, I.; Kalderen, C.; Axelsson, H.; Djureinovic, T.; Puigvert, J.C.; Häggblad, 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.: MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. , Nature 508 (2014), p. 215-221
doi: 10.1038/nature13181

Liebscher, S.; Schöpfel, M.; Aumüller, T.; Sharkhuukhen, A.; Pech, A.; Höss, E.; Parthier, C.; Jahreis, G.; Stubbs, M.T.; Bordusa, F.: N-Terminal Protein Modification by Substrate-Activated Reverse Proteolysis. , Angewandte Chemie - International Edition 53 (2014), p. 3024-3028
doi: 10.1002/anie.201307736

Renko, M.; Taler-Vercic, A.; Mihelic, M.; Zerovnik, E.; Turk, D.: Partial rotational lattice order-disorder in stefin B crystals. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1015-1025
doi: 10.1107/S1399004714000091

Han, H.; Kursula, P.: Periaxin and AHNAK Nucleoprotein 2 Form Intertwined Homodimers through Domain Swapping. , Journal of Biological Chemistry 289 (2014), p. 14121-14131
doi: 10.1074/jbc.M114.554816

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.: Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. , Journal of Biological Chemistry 289 (2014), p. 15987-16005
doi: 10.1074/jbc.M113.532804

Frielingsdorf, S.; Fritsch, J.; Schmidt, A.; Hammer, M.; Loewenstein, 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.: Reversible [4Fe-3S] cluster morphing in an O2-tolerant [NiFe] hydrogenas. , Nature Chemical Biology 10 (2014), p. 378-392
doi: 10.1038/nchembio.1500

Patrizi, B.; Lapini, A.; Di Donato, M.; Marcelli, A.; Lima, M.; Righini, R.; Foggi, P.; Baiocco, P.; Bonamore, A.; Boffi, A.: Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy. , The Journal of Physical Chemistry B 118 (2014), p. 9209–9217
doi: 10.1021/jp504499b

Schuetz, A.; Murakawa, Y.; Rosenbaum, E.; Landthaler, M.; Heinemann, U.: Roquin binding to target mRNAs involves a winged helix-turn-helix motif. , Nature Communications 5 (2014), p. 5701/1-7
doi: 10.1038/ncomms6701

Smietanski, M.; Werner, M.; Purta, E.; Kaminska, K H; Stepinski, J.; Darzynkiewicz, E.; Nowotny, M.; Bujnicki, J.M.: Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation. , Nature Communications 5 (2014), p. 3004/1-10
doi: 10.1038/ncomms4004

Kleinboelting, S.; van den Heuvel, J.; Steegborn, C.: Structural analysis of human soluble adenylyl cyclase and crystal structures of its nucleotide complexes - implications for cyclase catalysis and evolution. , FEBS Journal 281 (2014), p. 4151-4164
doi: 10.1111/febs.12913

Pallo, A.; Olah, J; Graczer, É.; Merli, A.; Zavodszky, P.; Weiss, M.S.; Vas, M.: Structural and energetic basis of isopropylmalate dehydrogenase enzyme catalysis. , FEBS Journal 281 (2014), p. 5063–5076
doi: 10.1111/febs.13044

Möhlmann, S.; Mathew, R.; Neumann, P.; Schmitt, A.; Lührmann, R.; Ficner, R.: Structural and functional analysis of the human spliceosomal DEAD-box helicase Prp28. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1622-1630
doi: 10.1107/S1399004714006439

Forsberg, Z.; Mackenzie, A.K.; Sorlie, M.; Rohr, A.K.; Helland, R.; Arvai, A.S.; Vaaje-Kolstad, G.; Eijsink, V.G.H.: Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 111 (2014), p. 8446-8451
doi: 10.1073/pnas.1402771111

Suhre, M.H.; Gertz, M.; Steegborn, C.; Scheibel, T.: Structural and functional features of a collagen-binding matrix protein from the mussel byssus. , Nature Communications 5 (2014), p. 3392/1-11
doi: 10.1038/ncomms4392

Kuhnert, M.; Steuber, H.; Diederich, W.E.: Structural Basis for HTLV-1 Protease Inhibition by the HIV-1 Protease Inhibitor Indinavir. , Journal of Medicinal Chemistry 57 (2014), p. 6266-6272
doi: 10.1021/jm500402c

Snasel, J.; Naus, P.; Dostal, J.; Hnizda, A.; Fanfrlik, J.; Brynda, J.; Bourderioux, A.; Dusek, M.; Dvorakova, H.; Stolarikova, J.; Zabranska, H.; Pohl, R.; Konecny, P.; Dzubak, P.; Votruba, I.; Hajduch, M.; Rezacova, P.; Veverka, V.; Hocek, M.; Pichova, I.: Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides. , Journal of Medicinal Chemistry 57 (2014), p. 8268-8279
doi: 10.1021/jm500497v

Tresaugues, L.; Silvander, C.; Flodin, S.; Welin, M.; Nyman, T.; Graslund, S.; Hammarstrom, M.; Berglund, H.; Nordlund, P.: Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases. , Structure 22 (2014), p. 744-755
doi: 10.1016/j.str.2014.01.013

Spindler, N.; Diestel, U.; Stump, J.D.; Wiegers, A.-K.; Winkler, T.H.; Sticht, H.; Mach, M.; Muller, Y.A.: Structural Basis for the Recognition of Human Cytomegalovirus Glycoprotein B by a Neutralizing Human Antibody. , PLoS Pathogens 10 (2014), p. e1004377/1-15
doi: 10.1371/journal.ppat.1004377

Havarushka, N.; Fischer-Schrader, K.; Lamkemeyer, T.; Schwarz, G.: Structural Basis of Thermal Stability of the Tungsten Cofactor Synthesis Protein MoaB from Pyrococcus furiosus. , PLoS One 9 (2014), p. e86030/1-12
doi: 10.1371/journal.pone.0086030

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.: Structural Differences Explain Diverse Functions of Plasmodium Actins. , PLoS Pathogens 10 (2014), p. 4091
doi: 10.1371/journal.ppat.1004091

Zahn, M.; Kieslich, B.; Berthold, N.; Knappe, D.; Hoffmann, R.; Sträter, N.: Structural Identification of DnaK Binding Sites within Bovine and Sheep Bactenecin Bac7. , Protein and Peptide Letters 21 (2014), p. 407-412
doi: 10.2174/09298665113206660111

Berntsson, R.P.-A.; Odegrip, R.; Sehlen, W.; Skaar, K.; Svensson, L.M.; Massad, T.; Hoegbom, M.; Haggard-Ljungquist, E.; Stenmark, P.: Structural insight into DNA binding and oligomerization of the multifunctional Cox protein of bacteriophage P2. , Nucleic Acids Research 42 (2014), p. 2725-2735
doi: 10.1093/nar/gkt1119

Shah, C.; Hegde, B.G.; Moren, B.; Behrmann, E.; Mielke, T.; Moenke, G.; Spahn, C.M.T.; Lundmark, R.; Daumke, O.; Langen, R.: Structural Insights into Membrane Interaction and Caveolar Targeting of Dynamin-like EHD2. , Structure 22 (2014), p. 409-420
doi: 10.1016/j.str.2013.12.015

Borko, L.; Bauerova-Hlinkova, V.; Hostinova, E.; Gasperik, J.; Beck, K.; Lai, F.A.; Zahradnikova, A.; Sevcik, J.: Structural insights into the human RyR2 N-terminal region involved in cardiac arrhythmias. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 2897-2912
doi: 10.1107/S1399004714020343

Khoshnevis, S.; Gunisova, S.; Vlckova, V.; Kouba, T.; Neumann, P.; Beznoskova, P.; Ficner, R.; Valasek, L.S.: Structural integrity of the PCI domain of eIF3a/TIF32 is required for mRNA recruitment to the 43S pre-initiation complexes. , Nucleic Acids Research 42 (2014), p. 4123-4139
doi: 10.1093/nar/gkt1369

Xu, D.; Waack, P.; Zhang, Q.; Werten, S.; Hinrichs, W.; Virolle, M.-J.: Structure and regulatory targets of SCO3201, a highly promiscuous TetR-like regulator of Streptomyces coelicolor M145. , Biochemical and Biophysical Research Communications 450 (2014), p. 513-518
doi: 10.1016/j.bbrc.2014.06.003

Parthier, C.; Stelter, M.; Ursel, C.; Fandrich, U.; Lilie, H.; Breithaupt, C.; Stubbs, M.T.: Structure of the Toll-Spätzle complex, a molecular hub in Drosophila development and innate immunity. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 111 (2014), p. 6281-6286
doi: 10.1073/pnas.1320678111

Pachl, P.; Fabry, M.; Rosenberg, I.; Simak, O.; Rezacova, P.; Brynda, J.: Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 461-470
doi: 10.1107/S1399004713030502

Zebisch, M.; Krauss, M.; Schäfer, P.; Sträter, N.: Structures of Legionella pneumophila NTPDase1 in complex with polyoxometallates. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1147-1154
doi: 10.1107/S1399004714001916

Eibl, C.; Hessenberger, M.; Wenger, J.; Brandstetter, H.: Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 2007-2018
doi: 10.1107/S1399004714010311

Kleinbölting, Silke: Strukturelle und biochemische Charakterisierung der humanen löslichen Adenylyl-Cyclase. , Bayreuth, Universität, Diss., 2014

Zoll, S.; Stanchev, S.; Began, J.; Skerle, J.; Lepsík, M.; Peclinovská, L.; Majer, P.; Strisovsky, K.: Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures. , The EMBO Journal 33 (2014), p. 2408-2421
doi: 10.15252/embj.201489367

Angelucci, F.; Morea, V.; Angelaccio, S.; Saccoccia, F.; Contestabile, R.; Ilari, A.: The crystal structure of archaeal serine hydroxymethyltransferase reveals idiosyncratic features likely required to withstand high temperatures. , Proteins - Structure, Function and Bioinformatics 82 (2014), p. 3437-49
doi: 10.1002/prot.24697

Schnitzler, A.; Brinkmann Olsen, B.; Issinger, O.-G.; Niefind, K.: The Protein Kinase CK2Andante Holoenzyme Structure Supports Proposec Models of Autoregulation and Trans-autophsophosylation. , Journal of Molecular Biology : jmb 426 (2014), p. 1871-1882
doi: 10.1016/j.jmb.2014.02.018

Ilari, A.; Alaleona, F.; Tria, G.; Petrarca, P.; Battistoni, A.; Zamparelli, C.; Verzili, D.; Falconi, M.; Chiancone, E.: The Salmonella enterica ZinT structure, zinc affinity and interaction with the high-affinity Uptake protein ZnuA provide insight into the management of periplasmic zinc. , Biochimica et Biophysica Acta - General Subjects 1840 (2014), p. 535-544
doi: 10.1016/j.bbagen.2013.10.010

Menzel, A.; Neumann, P.; Schwieger, C.; Stubbs, M.T.: Thermodynamic signatures in macromolecular interactions involving conformational flexibility. , Biological Chemistry 395 (2014), p. 905-911
doi: 10.1515/hsz-2014-0177

Liu, Y.; Neumann, P.; Kuhle, B.; Monecke, T.; Schell, S.; Chari, A.; Ficner, R.: Translation Initiation Factor eIF3b Contains a Nine-Bladed β-Propeller and Interacts with the 40S Ribosomal Subunit. , Structure 22 (2014), p. 923-930
doi: 10.1016/j.str.2014.03.010

Nowak, E.; Miller, J.T.; Bona, M.K.; Studnicka, J.; Szczepanowski, R.H.; Jurkowski, J.; LeGrice, S.F.J.; Nowotny, M.: Ty3 reverse transcriptase complexed with an RNA-DNA hybrid shows structural and functional asymmetry. , Nature Structural & Molecular Biology 21 (2014), p. 389-396
doi: 10.1038/nsmb.2785

Dahms, S.O.; Hardes, K.; Becker, G.L.; Steinmetzer, T.; Brandstetter, H.; Than, M.E.: X-ray Structures of Human Furin in Complex with Competitive Inhibitors. , ACS Chemical Biology 9 (2014), p. 1113-1118
doi: 10.1021/cb500087x

Demo, G.; Papouskova, V.; Komarek, J.; Kaderavek, P.; Otrusinova, O.; Srb, P.; Rabatinova, A.; Krasny, L.; Zidek, L.; Sklenar, V.; Wimmerova, M.: X-ray vs. NMR structure of N-terminal domain of δ-subunit of RNA polymerase. , Journal of Structural Biology 187 (2014), p. 174-186
doi: 10.1016/j.jsb.2014.06.001

Hegemann, J.D.; Zimmermann, M.; Zhu, S.; Steuber, H.; Harms, K.; Xie, X.; Marahiel, M.A.: Xanthomonins I-III: A New Class of Lasso Peptides with a Seven-Residue Macrolactam Ring. , Angewandte Chemie - International Edition 53 (2014), p. 2230-2234
doi: 10.1002/anie.201309267

2013

Böhme, T.; Engel, C.K.; Farjot, G.; Gussregen, S.; Haack, T.; Tschank, G.; Ritter, K.: 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes. , Bioorganic & Medicinal Chemistry Letters 23 (2013), p. 4685-4691
doi: 10.1016/j.bmcl.2013.05.102

Hofmeyer, T.; Schmelz, S.; Degiacomi, M.T.; Peraro, M.D.; Daneschdar, M.; Scrima, A.; Den Heuvel, J.V.; Heinz, D.W.; Kolmar, H.: Arranged Sevenfold: Structural Insights Into the C-Terminal Oligomerization Domain of Human C4b-Binding Protein. , Journal of Molecular Biology : jmb 425 (2013), p. 1302-1317
doi: 10.1016/j.jmb.2012.12.017

Alexeeva, Marina: Biophysical characterization of the DYRK family Studies on the kinases DYRK1A and DYRK1B. , Tromsø,, UiT The Arctic University of Norway, Thesis, 2013

Brynda, J.; Mader, P.; Sicha, V.; Fabry, M.; Poncova, K.; Bakardiev, M.; Gruner, B.; Cigler, P.; Rezacova, P.: Carborane-based carbonic anhydrase inhibitors. , Angewandte Chemie - International Edition 52 (2013), p. 13760-13763
doi: 10.1002/anie.201307583

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.: Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. , Journal of Medicinal Chemistry 56 (2013), p. 9556 - 9568
doi: 10.1021/jm401394u

Volkov, A.; Khoshnevis, S.; Neumann, P.; Herrfurth, C.; Wohlwend, D.; Ficner, R.; Feussner, I.: Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 648-657
doi: 10.1107/S0907444913000991

Moniot, S.; Schutkowski, M.; Steegborn, C.: Crystal structure analysis of human Sirt2 and its ADP-ribose complex. , Journal of Structural Biology 182 (2013), p. 136-143
doi: 10.1016/j.jsb.2013.02.012

Roth, C.; Gröning, J.A.D.; Kaschabek, S.R.; Schlömann, M.; Sträter, N.: Crystal structure and catalytic mechanism of chloromuconolactone dehalogenase ClcF from Rhodococcus opacus 1CP. , Molecular Microbiology 88 (2013), p. 254-267
doi: 10.1111/mmi.12182

Kvist, T.; Steffensen, T.B.; Greenwood, J.R.; Mehrzad Tabrizi, F.; Hansen, K.B.; Gajhede, M.; Pickering, D.S.; Traynelis, S.F.; Kastrup, J.S.; Bräuner-Osborne, H.: Crystal structure and pharmacological characterization of a novel N-methyl-D-aspartate (NMDA) receptor antagonist at the GluN1 glycine binding site. , Journal of Biological Chemistry 288 (2013), p. 33124-33135
doi: 10.1074/jbc.M113.480210

Genz, M.; Singer, D.; Hey-Hawkins, E.; Hoffmann, R.; Sträter, N.: Crystal Structure of Apo- and Metalated Thiolate containing RNase S as Structural Basis for the Design of Artificial Metalloenzymes by Peptide-Protein Complementation. , Zeitschrift für Anorganische und Allgemeine Chemie 639 (2013), p. 2395-2400
doi: 10.1002/zaac.201300410

Dowiercial, A.; Jarmula, A.; Wilk, P.; Rypniewski, W.; Kierdaszuk, B.; Rode, W.: Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate. , Pteridines 24 (2013), p. 93-98
doi: 10.1515/pterid-2013-0010

Nguyen, G.T.T.; Gertz, M.; Steegborn, C.: Crystal Structures of Sirt3 Complexes with 4 '-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism. , Chemistry & Biology 20 (2013), p. 1375-1385
doi: 10.1016/j.chembiol.2013.09.019

Dowiercial, A.; Wilk, P.; Rypniewski, W.; Fraczyk, T.; Jarmula, A.; Banaszak, K.; Dabrowska, M.; Ciesla, J.; Rode, W.: Crystal structures of thymidylate synthase from nematodes, Trichinella spiralis and Caenorhabditis elegans, as a potential template for species-specific drug design. , Pteridines 24 (2013), p. 87-91
doi: 10.1515/pterid-2013-0011

Resch, M.; Goepel, Y.; Goerke, B.; Ficner, R.: Crystallization and preliminary X-ray diffraction analysis of YhbJ from Escherichia coli, a key protein involved in the GlmYZ sRNA regulatory cascade. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 109-114
doi: 10.1107/S1744309112048622

Zebisch, M.; Krauss, M.; Schäfer, P.; Lauble, P.; Sträter, N.: Crystallographic Snapshots along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases. , Structure 21 (2013), p. 1460-1475
doi: 10.1016/j.str.2013.05.016

Gertz, M.; Fischer, F.; Nguyen, G.T.T.; Lakshminarasimhan, M.; Schutkowski, M.; Weyand, M.; Steegborn, C.: Ex-527 inhibits Sirtuins by exploiting their unique NAD+-dependent deacetylation mechanism. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 110 (2013), p. E2772-E2781
doi: 10.1073/pnas.1303628110

Dolot, R.; Wlodarczyk, A.; Bujacz, G.D.; Nawrot, B.: Expression, purification, crystallization and preliminary X-ray crystallographic analysis of human histidine triad nucleotide-binding protein 2 (hHINT2). , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 783-787
doi: 10.1107/S1744309113015200

Gabdulkhakov, A.G.; Fufina, T.Y.; Vasilieva, L.G.; Mueller, U.; Shuvalov, V.A.: Expression, purification, crystallization and preliminary X-ray structure analysis of wild-type and L(M196)H-mutant Rhodobacter sphaeroides reaction centres. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 506-509
doi: 10.1107/S1744309113006398

Diensthuber, R. P.; Bommer, M.; Gleichmann, T.; Moeglich, A.: Full-Length Structure of a Sensor Histidine Kinase Pinpoints Coaxial Coiled Coils as Signal Transducers and Modulators. , Structure 21 (2013), p. 1127-1136
doi: 10.1016/j.str.2013.04.024

Wenger, J.; Klinglmayr, E.; Frohlich, C.; Eibl, C.; Gimeno, A.; Hessenberger, M.; Puehringer, S.; Daumke, O.; Goettig, P.: Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses. , PLoS One 8 (2013), p. e71835/1-16
doi: 10.1371/journal.pone.0071835

Murina, V.; Lekontseva, N.; Nikulin, A.: Hfq binds ribonucleotides in three different RNA-binding sites. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 1504-1513
doi: 10.1107/S090744491301010X

Stelter, M.; Fandrich, U.; Franzke, K.; Schierhorn, A.; Breithaupt, C.; Parthier, C.; Stubbs, M.T.: High level expression of the Drosophila Toll receptor ectodomain and crystallization of its complex with the morphogen Spatzle. , Biological Chemistry 394 (2013), p. 1091-1096
doi: 10.1515/hsz-2013-0136

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.: In Situ Structural Analysis of the Yersinia Enterocolitica Injectisome. , eLife 2 (2013), p. 00792/1-23
doi: 10.7554/eLife.00792

Dahms, S.O.; Kuester, M.; Streb, C.; Roth, C.; Sträter, N.; Than, M.E.: Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 284-297
doi: 10.1107/S0907444912046008

Zebisch, M.; Schaefer, P.; Lauble, P.; Straeter, N.: New crystal forms of NTPDase1 from the bacterium Legionella pneumophila. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 257-262
doi: 10.1107/S1744309113001504

Wähler, K.; Kräling, K.; Steuber, H.; Meggers, E.: Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor. , ChemistryOpen 2 (2013), p. 180-185
doi: 10.1002/open.201300031

Dautel, Philipp Stephan Gunnar: Oligomerisierungszustände und RNA-Bindungseigenschaften des Matrix Protein der Bornaschen Krankheit und ihr Einfluss auf die virale Infektiösität. , Dissertation: Universität Halle-Wittenberg, 2013

Funkner, A.; Parthier, C.; Schutkowski, M.; Zerweck, J.; Lilie, H.; Gyrych, N.; Fischer, G.; Stubbs, M.T.; Ferrari, D.M.: Peptide Binding by Catalytic Domains of the Protein Disulfide lsomerase-Related Protein ERp46. , Journal of Molecular Biology : jmb 425 (2013), p. 1340-1362
doi: 10.1016/j.jmb.2013.01.029

Chang, A.; Schiebel, J.; Yu, W.; Bommineni, G.R.; Pan, P.; Baxter, M.V.; Khanna, A.; Sotriffer, C.A.; Kisker, C.; Tonge, P.J.: Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus Fabl Enzyme-Product Complex. , Biochemistry 52 (2013), p. 4217-4228
doi: 10.1021/bi400413c

Zambelli, B.; Banaszak, K.; Merloni, A.; Kiliszek, A.; Rypniewski, W.; Ciurli, S.: Selectivity of Ni(II) and Zn(II) binding to Sporosarcina pasteurii UreE, a metallochaperone in the urease assembly: a calorimetric and crystallographic study. , Journal of Thrombosis and Haemostasis 18 (2013), p. 1005-1017
doi: 10.1007/s00775-013-1049-6

Broeker, N.K.; Gohlke, U.; Müller, J.J.; Uetrecht, C.; Heinemann, U.; Seckler, R.; Barbirz, S.: Single amino acid exchange in bacteriophage HK620 tailspike protein results in thousand-fold increase of its oligosaccharide affinity. , Glycobiology 23 (2013), p. 59-68
doi: 10.1093/glycob/cws126

Monecke, T.; Haselbach, D.; Voss, B.; Russek, A.; Neumann, P.; Thomson, E.; Hurt, E.; Zachariae, U.; Stark, H.; Grubmüler, H.; Dickmanns, A.; Ficner, R.: Structural basis for cooperativity of CRM1 export complex formation. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 110 (2013), p. 960-965
doi: 10.1073/pnas.1215214110

Glotzbach, B.; Schmelz, S.; Reinwarth, M.; Christmann, A.; Heinz, D.W.; Kolmar, H.: Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III). , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 114-120
doi: 10.1107/S0907444912043880

Griessl, M.H.; Schmid, B.; Kassler, K.; Braunsmann, C.; Ritter, R.; Barlag, B.; Stierhof, Y.-D.; Sturm, K.U.; Danzer, C.; Wagner, C.; Schaeffer, T.E.; Sticht, H.; Hensel, M.; Muller, Y.A.: Structural Insight into the Giant Ca2+-Binding Adhesin SiiE: Implications for the Adhesion of Salmonella enterica to Polarized Epithelial Cells. , Structure 21 (2013), p. 741-752
doi: 10.1016/j.str.2013.02.020

Zahn, M.; Berthold, N.; Kieslich, B.; Knappe, D.; Hoffmann, R.; Strater, N.: Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK. , Journal of Molecular Biology : jmb 425 (2013), p. 2463 - 2479
doi: 10.1016/j.jmb.2013.03.041

Anders, K.; Daminelli-Widany, G.; Mroginski, M.A.; Von Stetten, D.; Essen, L.-O.: Structure of the Cyanobacterial Phytochrome 2 Photosensor Implies a Tryptophan Switch for Phytochrome Signaling. , Journal of Biological Chemistry 288 (2013), p. 35714
doi: 10.1074/jbc.M113.510461

Nguyen, G.T.T.; Schaefer, S.; Gertz, M.; Weyand, M.; Steegborn, C.: Structures of human sirtuin 3 complexes with ADP-ribose and with carba-NAD+ and SRT1720: binding details and inhibition mechanism. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 1423-1432
doi: 10.1107/S0907444913015448

Bräuer, Ulrike: Strukturelle Untersuchungen der 4-Curamat: Coenzym A Ligase 1 und der Aminotransferase LivB. , Halle, MLU, Diss., 2013

Lüdtke, S.; Neumann, P.; Erixon, K.M.; Leeper, F.; Kluger, R.; Ficner, R.; Tittmann, K.: Sub-angström-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. , Nature Chemistry 5 (2013), p. 762 - 767
doi: 10.1038/nchem.1728

Krug, U.; Totzauer, R.; Zebisch, M.; Strater, N.: The ATP/ADP Substrate Specificity Switch between Toxoplasma gondii NTPDase1 and NTPDase3 is Caused by an Altered Mode of Binding of the Substrate Base. , ChemBioChem 14 (2013), p. 2292-2300
doi: 10.1002/cbic.201300441

Krug, U.; Totzauer, R.; Straeter, N.: The crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 represents a conformational intermediate in the reductive activation mechanism of the tetrameric enzyme. , Proteins - Structure, Function and Bioinformatics 81 (2013), p. 1271-1276
doi: 10.1002/prot.24288

Ruszkowski, M.; Szpotkowski, K.; Sikorski, M.; Jaskolski, M.: The landscape of cytokinin binding by a plant nodulin. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 2365-2380
doi: 10.1107/S0907444913021975

2012

Gertz, M.; Giang Thi Tuyet Nguyen, ; Fischer, F.; Suenkel, B.; Schlicker, C.; Fränzel, B.; Tomaschewski, J.; Aladini, F.; Becker, C.; Wolters, D.; Steegborn, C.: A Molecular Mechanism for Direct Sirtuin Activation by Resveratrol. , PLoS One 7 (2012), p. e49761/1-12
doi: 10.1371/journal.pone.0049761

Sevvana, M.; Goetz, C.; Goeke, D.; Wimmer, C.; Berens, C.; Hillen, W.; Muller, Y.A.: An Exclusive α/β Code Directs Allostery in TetR-Peptide Complexes. , Journal of Molecular Biology : jmb 416 (2012), p. 46-56
doi: 10.1016/j.jmb.2011.12.008

Czihal, P.; Knappe, D.; Fritsche, S.; Zahn, Mi.; Berthold, N.; Piantavigna, S.; Müller, U.; Van Dorpe, S.; Herth, N.; Binas, A.; Köhler, G.; De Spiegeleer, B.; Martin, L.L.; Nolte, O.; Sträter, N.; Alber, G.; Hoffmann, R.: Api88 Is a Novel Antibacterial Designer Peptide To Treat Systemic Infections with Multidrug-Resistant Gram-Negative Pathogens. , ACS Chemical Biology 7 (2012), p. 1281-1291
doi: 10.1021/cb300063v

Gardill, B.R.; Vogl, M.R.; Lin, H.-Y.; Hammond, G.L; Muller, Y.A.: Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences. , PLoS One 7 (2012), p. e52759/1-11
doi: 10.1371/journal.pone.0052759

Simeonov, P.; Zahn, M.; Sträter, N.; Zuchner, T.: Crystal structure of a supercharged variant of the human enteropeptidase light chain. , Proteins - Structure, Function and Bioinformatics 80 (2012), p. 1907-1910
doi: 10.1002/prot.24084

Boumis, G.; Giardina, G.; Angelucci, F.; Bellelli, A.; Brunori, M.; Dimastrogiovanni, D.; Saccoccia, F.; Miele, A.E.: Crystal structure of Plasmodium falciparum thioredoxin reductase, a validated drug target. , Biochemical and Biophysical Research Communications 425 (2012), p. 806-811
doi: 10.1016/j.bbrc.2012.07.156

Knapp, K.; Zebisch, M.; Pippel, J.; El-Tayeb, A.; Mueller, C.E.; Sträter, N.: Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. , Structure 20 (2012), p. 2161-2173
doi: 10.1016/j.str.2012.10.001

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.: Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs. , Biochemistry 51 (2012), p. 7383-7392
doi: 10.1021/bi300687g

Neumann, Piotr; Brodhun, Florian; Sauer, Kristin; Herrfurth, Cornelia; Hamberg, Mats; Brinkmann, Jens; Scholz, Julia; Dickmanns, Achim; Feussner, Ivo; Ficner, Ralf: Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity. , Plant Physiology 160 (2012), p. 1251-1266
doi: 10.1104/pp.112.205138

Xu, N.; Yu, S.; Moniot, S.; Weyand, M.; Blankenfeldt, W.: Crystallization and preliminary crystal structure analysis of the ligand-binding domain of PqsR (MvfR), the Pseudomonas quinolone signal (PQS) responsive quorum-sensing transcription factor of Pseudomonas aeruginosa. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 1034-1039
doi: 10.1107/S1744309112032538

Mueller, U.; Darowski, N.; Fuchs, M.R.; Förster, R.; Hellmig, M.; Paithankar, K.S.; Pühringer, S.; Steffien, M.; Zocher, G.; Weiss, M.S.: Facilities for macromolecular crystallography at the Helmholtz-Zentrum Berlin. , Journal of Synchrotron Radiation 19 (2012), p. 442-449
doi: 10.1107/S0909049512006395

Kügler, J.; Schmelz, S.; Gentzsch, J.; Haid, S.; Pollmann, E.; van den Heuvel, J.; Franke, R.; Pietschmann, T.; Heinz, D.W.; Collins, J.: High Affinity Peptide Inhibitors of the Hepatitis C Virus NS3-4A Protease Refractory to Common Resistant Mutants. , Journal of Biological Chemistry 287 (2012), p. 39224-39232
doi: 10.1074/jbc.M112.393843

Pietrzyk, A.J.; Panjikar, S.; Bujacz, A.; Mueller-Dieckmann, J.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification. , Acta Crystallographica Section D - Biological Crystallography 68 (2012), p. 1140-1151
doi: 10.1107/S0907444912021555

Barison, N.; Lambers, J.; Hurwitz, R.; Kolbe, M.: Interaction of MxiG with the cytosolic complex of the type III secretion system controls Shigella virulence. , The FASEB Journal 26 (2012), p. 1717-1726
doi: 10.1096/fj.11-197160

Dahms, S.O.; Koennig, I.; Roeser, D.; Guehrs, K.-H.; Mayer, M.C.; Kaden, D.; Multhaup, G.; Than, M.E.: Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain. , Journal of Molecular Biology : jmb 416 (2012), p. 438-452
doi: 10.1016/j.jmb.2011.12.057

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.: Moonlighting by Different Stressors: Crystal Structure of the Chaperone Species of a 2-Cys Peroxiredoxin. , Structure 20 (2012), p. 429-439
doi: 10.1016/j.str.2012.01.004

Hardegger, Leo Albert: Multidimensional approach towards the quantification of weak intermolecular interactions. , Zürich, Eidgenössische Technische Hochschule Zürich (ETH), Diss., 2012

Pflug, Alexander: Protein kinase selectivity mechanisms and structure assisted drug discovery. , Tromsø, University of Tromsø, thesis, 2012

Griessl, M.H.; Jungkunz, I.; Sonnewald, U.; Muller, Y.A.: Purification, crystallization and preliminary X-ray diffraction analysis of the Hsp40 protein CPIP1 from Nicotiana tabacum. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 236-239
doi: 10.1107/S1744309111055928

Klinglmayr, E.; Wenger, J.; Mayr, S.; Bossy-Wetzel, E.; Puehringer, S.: Purification, crystallization and X-ray diffraction analysis of human dynamin-related protein 1 GTPase-GED fusion protein. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 1217-1221
doi: 10.1107/S174430911203607X

Schiebel, J.; Chang, A.; Lu, H.; Baxter, M.V.; Tonge, P.J.; Kisker, C.: Staphylococcus aureus Fabl: Inhibition, Substrate Recognition, and Potential Implications for In Vivo Essentiality. , Structure 20 (2012), p. 802-813
doi: 10.1016/j.str.2012.03.013

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.: Structural and Functional Analysis of the NLRP4 Pyrin Domain. , Biochemistry 51 (2012), p. 7330-7341
doi: 10.1021/bi3007059

Krug, U.; Zebisch, M.; Krauss, M.; Straeter, N.: Structural Insight into Activation Mechanism of Toxoplasma gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction. , Journal of Biological Chemistry 287 (2012), p. 3051-3066
doi: 10.1074/jbc.M111.294348

Schulz, E.C.; Roth, H.M.; Ankri, S.; Ficner, R.: Structure Analysis of Entamoeba histolytica DNMT2 (EhMeth). , PLoS One 7 (2012), p. e38728/1-11
doi: 10.1371/journal.pone.0038728

Brvar, M.; Perdih, A.; Renko, M.; Anderluh, G.; Turk, D.; Solmajer, T.: Structure-Based Discovery of Substituted 4,5'-Bithiazoles as Novel DNA Gyrase Inhibitors. , Journal of Medicinal Chemistry 55 (2012), p. 6413-6426
doi: 10.1021/jm300395d

Neu, U.; Hengel, H.; Baum, 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.: Structures of Merkel cell polyomavirus VP1 complexes define a sialic acid binding site required for infection. , PLoS Pathogens 8 (2012), p. e1002738/1-11
doi: 10.1371/journal.ppat.1002738

Kovaľ, Tomáš: Strukturní analýza bifunkční rostlinné nukleázy TBN1 = Structure analysis of plant bifunctional nuclease TBN1. , Prag, Univerzita Karlova, 2012

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.: Substrate-Selective Inhibition of Protein Kinase PDK1 by Small Compounds that Bind to the PIF-Pocket Allosteric Docking Site. , Chemistry & Biology 19 (2012), p. 1152-1163
doi: 10.1016/j.chembiol.2012.07.017

2011

Maestre-Martinez, M.; Haupt, K.; Edlich, F.; Neumann, P.; Parthier, C.; Stubbs, M.T.; Fischer, G.; Luecke, C.: A charge-sensitive loop in the FKBP38 catalytic domain modulates Bcl-2 binding. , Journal of Molecular Recognition 24 (2011), p. 23-34
doi: 10.1002/jmr.1020

Spjut, S.; Qian, W.; Bauer, J.; Storm, R.; Frängsmyr, L.; Stehle, T.; Arnberg, N.; Elofsson, M.: A Potent Trivalent Sialic Acid Inhibitor of Adenovirus Type 37 Infection of Human Corneal Cells. , Angewandte Chemie - International Edition 50 (2011), p. 6519-6521
doi: 10.1002/anie.201101559

Haupt, C.; Morgado, I.; Kumar, S.T.; Parthier, C.; Bereza, M.; Hortschansky, P.; Stubbs, M.T.; Horn, U.; Fändrich, M.: Amyloid Fibril Recognition with the Conformational B10 Antibody Fragment Depends on Electrostatic Interactions. , Journal of Molecular Biology : jmb 405 (2011), p. 341-348
doi: 10.1016/j.jmb.2010.10.059

Venskutonyte, R.; Frydenvang, K.; Gajhede, M.; Bunch, L.; Pickering, D.S.; Kastrup, J.S.: Binding site and interlobe interactions of the ionotropic glutamate receptor GluK3 ligand binding domain revealed by high resolution crystal structure in complex with (S)-glutamate. , Journal of Structural Biology 176 (2011), p. 307-314
doi: 10.1016/j.jsb.2011.08.014

Patton, G.C.; Stenmark, P.; Gollapalli, D.R.; Sevastik, R.; Kursula, P.; Flodin, S.; Schuler, H.; Swales, C.T.; Eklund, H.; Himo, F.; Nordlund, P.; Hedstrom, L.: Cofactor mobility determines reaction outcome in the IMPDH and GMPR (β-α)-8 Barrel Enzymes. , Nature Chemical Biology 7 (2011), p. 950-958
doi: 10.1038/nchembio.693

Schulz, E.C.; Bergfeld, A.K.; Ficner, R.; Mühlenhoff, M.: Crystal structure analysis of the polysialic acid specific O-acetyltransferase NeuO. , PLoS One 6 (2011), p. e17403/1-9
doi: 10.1371/journal.pone.0017403

Lunelli, M.; Hurwitz, R.; Lambers, J.; Kolbe, M.: Crystal Structure of PrgI-SipD: Insight into a Secretion Competent State of the Type Three Secretion System Needle Tip and its Interaction with Host Ligands. , PLoS Pathogens 7 (2011), p. e1002163/1-12
doi: 10.1371/journal.ppat.1002163

Eichinger, A.; Haneburger, I.; Koller, C.; Jung, K.; Skerra, A.: Crystal structure of the sensory domain of Escherichia coli CadC, a member of the ToxR-like protein family. , Protein Science 20 (2011), p. 656-669
doi: 10.1002/pro.594

Bujacz, A.; Jedrzejczak-Krzepkowska, M.; Bielecki, S.; Redzynia, I.; Bujacz, G.: Crystal structures of the apo form of β-fructofuranosidase from Bifidobacterium longum and its complex with fructose. , FEBS Journal 278 (2011), p. 1728-1744
doi: 10.1111/j.1742-4658.2011.08098.x

Licht, A.; Bulut, H.; Scheffel, F.; Daumke, O.; Wehmeier, U.F.; Saenger, W.; Schneider, E.; Vahedi-Faridi, A.: Crystal structures of the bacterial solute receptor AcbH displaying an exclusive substrate preference for beta-D-galactopyranose. , Journal of Molecular Biology : jmb 406 (2011), p. 92-105
doi: 10.1016/j.jmb.2010.11.048

Koharyova, M.; Brynda, J.; Rezacova, P.; Kollarova, M.: Crystallization and diffraction analysis of thioredoxin reductase from Streptomyces coelicolor. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 917-921
doi: 10.1107/S1744309111021385

Sturm, K.U.; Griessl, M.H.; Wagner, C.; Deiwick, J.; Hensel, M.; Muller, Y.A.: Crystallization and preliminary crystallographic analysis of an Ig-domain-encompassing fragment of the giant adhesion protein SiiE from Salmonella enterica. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 1371-1374
doi: 10.1107/S1744309111032039

Stsiapanava, A.; Chaloupkova, R.; Fortova, A.; Brynda, J.; Weiss, M.S.; Damborsky, J.; Kuta Smatanova, I.: Crystallization and preliminary X-ray diffraction analysis of the wild-type haloalkane dehalogenase DhaA and its variant DhaA13 complexed with different ligands. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 253-257
doi: 10.1107/S1744309110051286

Koval, T.; Lipovova, P.; Podzimek, T.; Matousek, J.; Duskova, J.; Skalova, T.; Stepankova, A.; Hasek, J.; Dohnalek, J.: Crystallization of recombinant bifunctional nuclease TBN1 from tomato. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 124-128
doi: 10.1107/S1744309110048177

Firczuk, M.; Wojciechowski, M.; Czapinska, H.; Bochtler, M.: DNA intercalation without flipping in the specific ThaI–DNA complex. , Nucleic Acids Research 39 (2011), p. 744-754
doi: 10.1093/nar/gkq834

Sokolowska, M.; Czapinska, H.; Bochtler, M.: Hpy188I–DNA pre- and post-cleavage complexes - snapshots of the GIY-YIG nuclease mediated catalysis. , Nucleic Acids Research 39 (2011), p. 1554-1564
doi: 10.1093/nar/gkq821

Pietrzyk, A.J.; Bujacz, A.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Isolation, purification, crystallization and preliminary X-ray studies of two 30 kDa proteins from silkworm haemolymph. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 372-376
doi: 10.1107/S1744309110054564

Kolenko, P.; Rozbesky, D.; Vanek, O.; Kopecky, V.; Hofbauerova, K.; Novak, P.; Pompach, P.; Hasek, J.; Skalova, T.; Bezouska, K.; Dohnalek, J.: Molecular architecture of mouse activating NKR-P1 receptors. , Journal of Structural Biology 175 (2011), p. 434-441
doi: 10.1016/j.jsb.2011.05.001

Pflug, A.; de Oliveira, T.M.; Bossemeyer, D.; Engh, R.A.: Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase. , Biochemical Journal 440 (2011), p. 85-93
doi: 10.1042/BJ20110592

Giardina, G.; Montioli, R.; Gianni, S.; Cellini, B.; Paiardini, A.; Voltattorni, C.B.; Cutruzzola, F.: Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 108 (2011), p. 20514-20519
doi: 10.1073/pnas.1111456108

Zhu, L.; George, S.; Schmidt, M.F.; Al-Gharabli, S.I.; Rademann, J.; Hilgenfeld, R.: Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease. , Antiviral Research 92 (2011), p. 204-212
doi: 10.1016/j.antiviral.2011.08.001

Strube, C.P.; Homann, A.; Gamer, M.; Jahn, D.; Seibel, J.; Heinz, D.W.: Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs. , Journal of Biological Chemistry 286 (2011), p. 17593-17600
doi: 10.1074/jbc.M110.203166

Venier, O.; Pascal, C.; Braun, A.; Namane, C.; Mougenot, P.; Crespin, O.; Pacquet, F.; Mougenot, C.; Monseau, C.; Onofri, B.; Dadji-Faihun, R.; Leger, C.; Ben-Hassine, M.; Van-Pham, T.; Ragot, J.L.; Philippo, C.; Gussregen, S.; Engel, C.; Farjot, G.; Noah, L.; Maniani, K.; Nicolai, E.: Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1. , Bioorganic & Medicinal Chemistry Letters 21 (2011), p. 2244-2251
doi: 10.1016/j.bmcl.2011.02.111

Martinez, J.; Mancini, S.; Tauberger, E.; Weise, C.; Saenger, W.; Solioz, M.: Regulation and structure of YahD, a copper inducible α/β hydrolase of Lactococcus lactis IL1403. , FEMS Microbiology Letters 314 (2011), p. 57-66
doi: 10.1111/j.1574-6968.2010.02144.x

Von Kleist, L.; Stahlschmidt, W.; Bulut, H.; Gromova, K.; Puchkov, D.; Robertson, M.J.; Macgregor, K.A.; Tomlin, N.; Pechstein, A.; Chau, N.; Chircop, M.; Sakoff, J.; Von Kries, J.P.; Saenger, W.; Krausslich, H.; Shupliakov, O.; Robinson, P.J.; Mccluskey, A.; Haucke, V.: Role of the Clathrin Terminal Domain in Regulating Coated Pit Dynamics Revealed by Small Molecule Inhibition. , Cell 146 (2011), p. 471-484
doi: 10.1016/j.cell.2011.06.025

Boumis, G.; Angelucci, F.; Bellelli, A.; Brunori, M.; Dimastrogiovanni, D.; Miele, A.E.: Structural and functional characterization of Schistosoma mansoni Thioredoxin. , Protein Science 20 (2011), p. 1069-1076
doi: 10.1002/pro.634

Dickmanns, A.; Damerow, S.; Neumann, P.; Schulz, E.-C.; Lamerz, A.-C.; Routier, F.H.; Ficner, R.: Structural Basis for the Broad Substrate Range of the UDP-Sugar Pyrophosphorylase from Leishmania major. , Journal of Molecular Biology : jmb 405 (2011), p. 461-478
doi: 10.1016/j.jmb.2010.10.057

Schulz, E.C.; Tietzel, M.; Tovy, A.; Ankri, S.; Ficner, R.: Structure analysis of Entamoeba histolytica enolase. , Acta Crystallographica Section D - Biological Crystallography 67 (2011), p. 619-627
doi: 10.1107/S0907444911016544

Dohnalek, J.; Koval, T.; Lipovova, P.; Podzimek, T.; Matousek, J.: Structure analysis of group I plant nucleases. , Journal of Synchrotron Radiation 18 (2011), p. 29 - 30
doi: 10.1107/S0909049510030700

Zarzycki, M.; Kolodziejczyk, R.; Maciaszczyk-Dziubinska, E.; Wysocki, R.; Jaskolski, M.; Dzugaj, A.: Structure of E69Q mutant of human muscle fructose-1,6-bisphosphatase. , Acta Crystallographica Section D - Biological Crystallography 67 (2011), p. 1028-1034
doi: 10.1107/S090744491104385X

Skalova, T.; Duskova, J.; Hasek, J.; Stepankova, A.; Koval, T.; Ostergaard, L.H.; Dohnaklek, J.: Structure of laccase from Streptomyces coelicolor after soaking with potassium hexacyanoferrate and at an improved resolution of 2.3 Å. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 27-32
doi: 10.1107/S1744309110046099

Gao, S.; von der Malsburg, A.; Dick, A.; Faelber, K.; Schröder, G.F.; Haller, O.; Kochs, G.; Daumke, O.: Structure of Myxovirus Resistance Protein A Reveals Intra- and Intermolecular Domain Interactions Required for the Antiviral Function. , Immunity 35 (2011), p. 514-525
doi: 10.1016/j.immuni.2011.07.012

Kolenko, P.; Rozbesky, D.; Vanek, O.; Bezouska, K.; Hasek, J.; Dohnalek, J.: Structure of the H107R variant of the extracellular domain of mouse NKR-P1A at 2.3 Å resolution. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 1519-1523
doi: 10.1107/S1744309111046203

Tarnawski, M.; Krzywda, S.; Bialek, W.; Jaskolski, M.; Szczepaniak, A.: Structure of the RuBisCO chaperone RbcX from the thermophilic cyanobacterium Thermosynechococcus elongatus. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 851-857
doi: 10.1107/S1744309111018860

Jaciuk, M.; Nowak, E.; Skowronek, K.; Tanska, A.; Nowotny, M.: Structure of UvrA nucleotide excision repair protein in complex with modified DNA. , Nature Structural & Molecular Biology 18 (2011), p. 191-198
doi: 10.1038/nsmb.1973

Ruiz-Carrillo, D.; Koch, B.; Parthier, C.; Wermann, M.; Dambe, T.; Buchholz, M.; Ludwig, H.-H.; Heiser, U.; Rahfeld, J.-U.; Stubbs, M.T.; Schilling, S.; Demuth, H.-U.: Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center. , Biochemistry 50 (2011), p. 6280-6288
doi: 10.1021/bi200249h

Lorenz, S.H.; Jakob, R.P.; Weininger, U.; Balbach, J.; Dobbek, H.; Schmid, F.X.: The Filamentous Phages Fd and If1 Use Different Mechanisms to Infect Escherichia Coli. , Journal of Molecular Biology : jmb 405 (2011), p. 989-1003
doi: 10.1016/j.jmb.2010.11.030

Wrase, R.; Scott, H.; Hilgenfeld, R.; Hansen, G.: The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 108 (2011), p. 10490-10495
doi: 10.1073/pnas.1101084108

Schuetz, A.; Nana, D.; Rose, C.; Zocher, G.; Milanovic, M.; Koenigsmann, J.; Blasig, R.; Heinemann, U.; Carstanjen, D.: The structure of the Klf4 DNA-binding domain links to self-renewal and macrophage differentiation. , Cellular and Molecular Lilfe Sciences 68 (2011), p. 3121-3131
doi: 10.1007/s00018-010-0618-x

Lehwess-Litzmann, A.; Neumann, P.; Parthier, C.; Luedtke, S.; Golbik, R.; Ficner, R.; Tittmann, K.: Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. , Nature Chemical Biology 7 (2011), p. 678-684
doi: 10.1038/NCHEMBIO.633

2010

Skalova, T.; Duskova, J.; Hasek, J.; Kolenko, P.; Stepankova, A.; Dohnalek, J.: Alternative polymer precipitants for protein crystallization. , Journal of Applied Crystallography 43 (2010), p. 737-742
doi: 10.1107/S0021889810014317

Kiliszek, A.; Kierzek, R.; Krzyzosiak, W.J.; Rypniewski, W.: Atomic resolution structure of CAG RNA repeats: structural insights and implications for the trinucleotide repeat expansion diseases. , Nucleic Acids Research 38 (2010), p. 8370-8376
doi: 10.1093/nar/gkq700

Lokareddy, R.K.; Lunelli, M.; Eilers, B.; Wolter, V.; Kolbe, M.: Combination of Two Separate Binding Domains Defines Stoichiometry between Type III Secretion System Chaperone IpgC and Translocator Protein IpaB. , Journal of Biological Chemistry 285 (2010), p. 39965-39975
doi: 10.1074/jbc.M110.135616

Löw, C.; Neumann, P.; Tidow, H.; Weininger, U.; Haupt, C.; Friedrich-Epler, B.; Scholz, C.; Stubbs, M.T.; Balbach, J.: Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus. , Journal of Molecular Biology : jmb 398 (2010), p. 375-390
doi: 10.1016/j.jmb.2010.03.014

Kolodziejczyk, R.; Michalska, K.; Hernandez-Santoyo, A.; Wahlbom, M.; Grubb, A.; Jaskolski, M.: Crystal structure of human cystatin C stabilized against amyloid formation. , FEBS Journal 277 (2010), p. 1726-1737
doi: 10.1111/j.1742-4658.2010.07596.x

Michalska, K.; Fernandes, H.; Sikorski, M.; Jaskolski, M.: Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin. , Journal of Structural Biology 169 (2010), p. 161-171
doi: 10.1016/j.jsb.2009.10.008

Vahedi-Faridi, A.; Licht, A.; Bulut, H.; Scheffel, F.; Keller, S.; Wehmeier, U.F.; Saenger, W.; Schneider, E.: Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium. , Journal of Molecular Biology : jmb 397 (2010), p. 709-723
doi: 10.1016/j.jmb.2010.01.054

Sviridova, E.; Bumba, L.; Rezacova, P.; Prochazkova, K.; Kavan, D.; Bezouska, K.; Kuty, M.; Sebo, P.; Smatanova, I.K.: Crystallization and preliminary crystallographic characterization of the iron-regulated outer membrane lipoprotein FrpD from Neisseria meningitidis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 1119-1123
doi: 10.1107/S174430911003215X

Dauter, Z.; Jaskolski, M.; Wlodawer, A.: Impact of synchrotron radiation on macromolecular crystallography: a personal view. , Journal of Synchrotron Radiation 17 (2010), p. 433-444
doi: 10.1107/S0909049510011611

Schmidt, F.; Treiber, N.; Zocher, G.; Bjelic, S.; Steinmetz, M.O.; Kalbacher, H.; Stehle, T.; Dodt, G.: Insights into peroxisome function from the structure of PEX3 in complex with a soluble fragment of PEX19. , Journal of Biological Chemistry 285 (2010), p. 25410-25417
doi: 10.1074/jbc.M110.138503

Angelucci, F.; Dimastrogiovanni, D.; Boumis, G.; Brunori, M.; Miele, A.E.; Saccoccia, F.; Bellelli, A.: Mapping the Catalytic Cycle of Schistosoma mansoni Thioredoxin Glutathione Reductase by X-ray Crystallography. , Journal of Biological Chemistry 285 (2010), p. 32557-32567
doi: 10.1074/jbc.M110.141960

Rao, Y.; Ma, Q.; Vahedi-Faridi, A.; Sundborger, A.; Pechstein, A.; Puchkov, D.; Luo, L.; Shupliakov, O.; Saenger, W.; Haucke, V.: Molecular basis for SH3 domain regulation of F-Bar-mediated membrane deformation. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 107 (2010), p. 8213-8218
doi: 10.1073/pnas.1003478107

Dahms, S.O.; Hoefgen, S.; Roeser, D.; Schlott, B.; Gührs, K.-H.; Than, M.E.: Structure and biochemical analysis of the heparin-induced E1 dimer of the amyloid precursor protein. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 107 (2010), p. 5381-5386
doi: 10.1073/pnas.0911326107

Janiak, V.; Petersen, M.; Zentgraf, M.; Klebe, G.; Heine, A.: Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth. , Acta Crystallographica Section D - Biological Crystallography 66 (2010), p. 593-603
doi: 10.1107/S0907444910006360

Faust, A.; Puehringer, S.; Darowski, N.; Panjikar, S.; Diederichs, K.; Mueller, U.; Weiss, M.S.: Update on the tutorial for learning and teaching macromolecular crystallography. , Journal of Applied Crystallography 43 (2010), p. 1230-1237
doi: 10.1107/S0021889810028189

2009

Oschlies, M.; Dickmanns, A.; Haselhorst, T.; Schaper, W.; Stummeyer, K.; Tiralongo, J.; Weinhold, B.; Gerardy-Schahn, R.; von Itzstein, M.; Ficner, R.; Münster-Kühnel, A.K.: A C-terminal phosphatase module conserved in vertebrate CMP-sialic acid synthetases provides a tetramerization interface for the physiologically active enzyme. , Journal of Molecular Biology : jmb 393 (2009), p. 83-97
doi: 10.1016/j.jmb.2009.08.003

Ritschel, T.; Atmanene, C.; Reuter, K.; Van Dorsselaer, A.; Sanglier-Cianferani, S.; Klebe, G.: An Integrative Approach Combining Noncovalent Mass Spectrometry, Enzyme Kinetics and X-ray Crystallography to Decipher Tgt Protein-Protein and Protein-RNA Interaction. , Journal of Molecular Biology : jmb 393 (2009), p. 833-847
doi: 10.1016/j.jmb.2009.07.040

Kumar, P.; Vahedi-Faridi, A.; Saenger, W.; Ziegler, A.; Uchanska-Ziegler, B.: Conformational changes within the HLA-A1:MAGE-A1 complex induced by binding of a recombinant antibody fragment with TCR-like specificity. , Protein Science 18 (2009), p. 37-49
doi: 10.1002/pro.4

König, B.; Müller, J.J.; Lanka, E.; Heinemann, U.: Crystal Structure of Kora Bound to Operator DNA: Insight Into Repressor Cooperation in Rp4 Gene Regulation. , Nucleic Acids Research 37 (2009), p. 1915–1924
doi: 10.1093/nar/gkp044

Francuski, D.; Saenger, W.: Crystal structure of the antitoxin-toxin protein complex RelB-RelE from Methanococcus jannaschii. , Journal of Molecular Biology : jmb 393 (2009), p. 898-908
doi: 10.1016/j.jmb.2009.08.048

Sokolowska, M.; Czapinska, H.; Bochtler, M.: Crystal structure of the bba-Me type II restriction endonuclease Hpy99I with target DNA. , Nucleic Acids Research 37 (2009), p. 3799–3810
doi: 10.1093/nar/gkp228

Monecke, T.; Güttler, T.; Neumann, P.; Dickmanns, A.; Görlich, D.; Ficner, R.: Crystal Structure of the Nuclear Export Receptor CRM1 in Complex with Snurportin1 and RanGTP. , Science 324 (2009), p. 1087-1091
doi: 10.1126/science.1173388

Hänzelmann, P.; Dahl, J.U.; Kuper, J.; Urban, A.; Müller-Theissen, U.; Leimkühler, S.; Schindelin, H.: Crystal structure of YnjE from Escherichia coli, a sulfurtransferase with three rhodanese domains. , Protein Science 18 (2009), p. 2480-2491
doi: 10.1002/pro.260

Helland, R.; Larsen, R.L.; Finstad, S.; Kyomuhendo, P.; Larsen, A.N.: Crystal structures of g-type lysozyme from Atlantic cod shed new light on substrate binding and the catalytic mechanism. , Cellular and Molecular Lilfe Sciences 66 (2009), p. 2585-2598
doi: 10.1007/s00018-009-0063-x

Hasselt, K.; Sevvana, M.; Burkovski, A.; Muller, Y.A.: Crystallization and preliminary crystallographic analysis of the global nitrogen regulator AmtR from Corynebacterium glutamicum. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 65 (2009), p. 1123-1127
doi: 10.1107/S174430910903663X

Kim, H.J.; Eichinger, A.; Skerra, A.: High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2. , Journal of the American Chemical Society 131 (2009), p. 3565-3576
doi: 10.1021/ja806857r

Lingott, T.J.; Schleberger, C.; Gutierrez, J.M.; Merfort, I.: High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. , Biochemistry 48 (2009), p. 6166–6174
doi: 10.1021/bi9002315

Ritschel, T.; Kohler, P.C.; Neudert, G.; Heine, A.; Diederich, F.; Klebe, G.: How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase. , ChemMedChem 4 (2009), p. 2012-2023
doi: 10.1002/cmdc.200900343

Spadiut, O.; Leitner, C.; Salaheddin, C.; Varga, B.; Vertessy, B.G.; Tan, T.C.; Divne, C.; Haltrich, D.: Improving thermostability and catalytic activity of pyranose 2-oxidase from Trametes multicolor by rational and semi-rational design. , FEBS Journal 276 (2009), p. 776-792
doi: 10.1111/j.1742-4658.2008.06823.x

Angelucci, F.; Sayed, A.A.; Williams, D.L.; Boumis, G.; Brunori, M.; Dimastrogiovanni, D.; Miele, A.E.; Pauly, F.; Bellelli, A.: Inhibition of Schistosoma mansoni Thioredoxin-glutathione Reductase by Auranofin : Structural and Kinetic Aspects. , Journal of Biological Chemistry 284 (2009), p. 28977-28985
doi: 10.1074/jbc.M109.020701

Lakomek, K.; Dickmanns, A.; Kettwig, M.; Urlaub, H.; Ficner, R.; Luebke, T.: Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography. , BMC Structural Biology 9 (2009), p. 56/1-17
doi: 10.1186/1472-6807-9-56

Lunelli, M.; Lokareddy, R.K.; Zychlinsky, A.; Kolbe, M.: IpaB-IpgC interaction defines binding motif for type III secretion translocator. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 106 (2009), p. 9661-9666
doi: 10.1073/pnas.0812900106

Sevvana, M.; Ahnström, J.; Egerer-Sieber, C.; Lange, H.A.; Dahlbäck, B.; Muller, Y.A.: Serendipitous Fatty Acid Binding Reveals the Structural Determinants for Ligand Recognition in Apolipoprotein M. , Journal of Molecular Biology : jmb 393 (2009), p. 920-936
doi: 10.1016/j.jmb.2009.08.071

Federici, L.; Lo Sterzo, C.; Pezzola, S.; Di Matteo, A.; Scaloni, F.; Federici, G.; Caccuri, A.M.: Structural Basis for the Binding of the Anticancer Compound 6-(7-Nitro-2,1,3-Benzoxadiazol-4-Ylthio)Hexanol to Human Glutathione S-Transferases. , Cancer Research 69 (2009), p. 8025-8034
doi: 10.1158/0008-5472.CAN-09-1314

Klieber, M.A.; Scholz, O.; Lochner, S.; Gmeiner, P.; Hillen, W.; Müller, Y.A.: Structural origins for selectivity and specificity in an engineered bacterial repressor-inducer pair. , FEBS Journal 276 (2009), p. 5610-5621
doi: 10.1111/j.1742-4658.2009.07254.x

Dengl, S.; Mayer, A.; Sun, M.; Cramer, P.: Structure and in vivo requirement of the yeast Spt6 SH2 domain. , Journal of Molecular Biology : jmb 389 (2009), p. 211-225
doi: 10.1016/j.jmb.2009.04.016

Helland, R.; Larsen, R.L.; Asgeirsson, B.: The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase. , Biochimica et Biophysica Acta - Proteins and Proteomics 1794 (2009), p. 297-308
doi: 10.1016/j.bbapap.2008.09.020

Kolenko, P.; Skalova, T.; Vanek, O.; Stepankova, A.; Duskova, J.; Hasek, J.; Bezouska, K.; Dohnalek, J.: The high-resolution structure of the extracellular domain of human CD69 using a novel polymer. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 65 (2009), p. 1258-1260
doi: 10.1107/S1744309109043152

Baum, B.; Muley, L.; Heine, A.; Smolinski, M.; Hangauer, D.; Klebe, G.: Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. , Journal of Molecular Biology : jmb 391 (2009), p. 552-564
doi: 10.1016/j.jmb.2009.06.016

2008

Helland, R.; Fjellbirkeland, A.; Karlsen, O.A.; Ve, T.; Lillehaug, J.R.; Jensen, H.B.: An Oxidized Tryptophan Facilitates Copper Binding in Methylococcus Capsulatus-Secreted Protein Mope. , Journal of Biological Chemistry 283 (2008), p. 13897-13904
doi: 10.1074/jbc.M800340200

Hoffmann, A.; Funkner, A.; Neumann, P.; Juhnke, S.; Walther, M.; Schierhorn, A.; Weininger, U.; Balbach, J.; Reuter, G.; Stubbs, M.T.: Biophysical Characterization of Refolded Drosophila Spatzle, a Cystine Knot Protein, Reveals Distinct Properties of Three Isoforms. , Journal of Biological Chemistry 283 (2008), p. 32598-32609
doi: 10.1074/jbc.M801815200

Yonus, H.; Neumann, P.; Zimmermann, S.; May, J.J.; Marahiel, M.A.; Stubbs, M.T.: Crystal structure of DltA. Implications for the reaction mechanism of non-ribosomal peptide synthetase adenylation domains. , Journal of Biological Chemistry 283 (2008), p. 32484-32491
doi: 10.1074/jbc.M800557200

Scheerer, P.; Park, J.H.; Hildebrand, P.W.; Kim, Y.J.; Krauss, N.; Choe, H.-W.; Hofmann, K.P.; Ernst, O.P.: Crystal structure of opsin in its G-protein-interacting conformation. , Nature 455 (2008), p. 497-502
doi: 10.1038/nature07330

Vahedi-Faridi, A.; Eckey, V.; Scheffel, F.; Alings, C.; Landmesser, H.; Schneider, E.; Saenger, W.: 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. , Journal of Molecular Biology : jmb 375 (2008), p. 448-459
doi: 10.1016/j.jmb.2007.10.049

Rossmann, M.; Schultz-Heienbrok, R.; Behlke, J.; Remmel, N.; Alings, C.; Sandhoff, K.; Saenger, W.; Maier, T.: Crystal structures of human saposins C and d: implications for lipid recognition and membrane interactions. , Structure 16 (2008), p. 809-817
doi: 10.1016/j.str.2008.02.016

Hillig, R.C.; Urlinger, S.; Fanghänel, J.; Brocks, B.; Haenel, C.; Stark, Y.; Sülzle, D.; Svergun, D.I.; Baesler, S.; Malawski, G.; Moosmayer, D.; Menrad, A.; Schirner, M.; Licha, K.: Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface. , Journal of Molecular Biology : jmb 377 (2008), p. 206-219
doi: 10.1016/j.jmb.2007.12.071

Kursula, P.; Kursula, I.; Massimi, M.; Song, Y.H.; Downer, J.; Stanley, W.A.; Witke, W.; Wilmanns, M.: 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. , Journal of Molecular Biology : jmb 375 (2008), p. 270-290
doi: 10.1016/j.jmb.2007.10.050

Pratto, F.; Cicek, A.; Weihofen, W.A.; Lurz, R.; Saenger, W.; Alonso, J.C.: Streptococcus pyogenes pSM19035 requires dynamic assembly of ATP-bound ParA and ParB on parS DNA during plasmid segregation. , Nucleic Acids Research 36 (2008), p. 3676-3689
doi: 10.1093/nar/gkn170

Schulze, J.O.; Quedenau, C.; Roske, Y.; Adam, T.; Schüler, H.; Behlke, J.; Turnbull, A.P.; Sievert, V.; Scheich, C.; Mueller, U.; Heinemann, U.; Bussow, K.: Structural and Functional Characterization of Human Iba Proteins. , FEBS Journal 275 (2008), p. 4627-4640
doi: 10.1111/j.1742-4658.2008.06605.x

Neumann, P.; Weidner, A.; Pech, A.; Stubbs, M.T.; Tittmann, K.: Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from Escherichia coli. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 105 (2008), p. 17390-17395
doi: 10.1073/pnas.0805027105

Zebisch, M.; Sträter, N.: Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 105 (2008), p. 6882-6887
doi: 10.1073/pnas.0802535105

Kotzsch, A.; Nickel, J.; Seher, A.; Heinecke, K.; van Geersdaele, L.; Herrmann, T.; Sebald, W.; Mueller, T.D.: Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome. , Journal of Biological Chemistry 283 (2008), p. 5876-5887
doi: 10.1074/jbc.M706029200

Karlberg, T.; Collins, R.; van den Berg, S.; Flores, A.; Hammarstrom, M.; Hogbom, M.; Holmberg Schiavone, L.; Uppenberg, J.: Structure of human argininosuccinate synthetase. , Acta Crystallographica Section D - Biological Crystallography 64 (2008), p. 279-286
doi: 10.1107/S0907444907067455

Beich-Frandsen, M.; Pickering, D.S.; Mirza, O.; Johansen, T.N.; Greenwood, J.; Vestergaard, B.; Schousboe, A.; Gajhede, M.; Liljefors, T.; Kastrup, J.S.: 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. , Journal of Medicinal Chemistry 51 (2008), p. 1459-1463
doi: 10.1021/jm701126w

Schönfeld, D.L.; Ravelli, R.B.; Mueller, U.; Skerra, A.: 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. , Journal of Molecular Biology : jmb 384 (2008), p. 393-405
doi: 10.1016/j.jmb.2008.09.020

Chatwell, L.; Holla, A.; Kaufer, B.B.; Skerra, A.: The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site. , Molecular Immunology 45 (2008), p. 1981-1994
doi: 10.1016/j.molimm.2007.10.030

Tresaugues, L.; Stenmark, P.; Schüler, H.; Flodin, S.; Welin, M.; Nyman, T.; Hammarström, M.; Moche, M.; Gräslund, S.; Nordlund, P.: The Crystal Structure of Human Cleavage and Polyadenylation Specific Factor-5 Reveals a Dimeric Nudix Protein with a Conserved Catalytic Site. , Proteins - Structure, Function and Bioinformatics 73 (2008), p. 1047-1052
doi: 10.1002/prot.22198

Thorn, A.; Egerer-Sieber, C.; Jäger, C.; Herl, V.; Müller-Uri, F.; Kreis, W.; Muller, Y.A.: The Crystal Structure of Progesterone 5{Beta}-Reductase from Digitalis Lanata Defines a Novel Class of Short Chain Dehydrogenases/Reductases. , Journal of Biological Chemistry 283 (2008), p. 17260-17269
doi: 10.1074/jbc.M706185200

Nyman, T.; Stenmark, P.; Flodin, S.; Johansson, I.; Hammarstrom, M.; Nordlund, P.: The Crystal Structure of the Human Toll-Like Receptor 10 Cytoplasmic Domain Reveals a Putative Signaling Dimer. , Journal of Biological Chemistry 283 (2008), p. 11861-11865
doi: 10.1074/jbc.C800001200

Gurmu, D.; Lu, J.; Johnson, K.A.; Nordlund, P.; Holmgren, A.; Erlandsen, H.: The Crystal Structure of the Protein Yhak from Escherichia Coli Reveals a New Subclass of Redox Sensitive Enterobacterial Bicupins. , Proteins - Structure, Function and Bioinformatics 74 (2008), p. 18-31
doi: 10.1002/prot.22128

Ilari, A.; Bonamore, A.; Franceschini, S.; Fiorillo, A.; Boffi, A.; Colotti, G.: The X-Ray Structure of N-Methyltryptophan Oxidase Reveals the Structural Determinants of Substrate Specificity. , Proteins - Structure, Function and Bioinformatics 71 (2008), p. 2065-2075
doi: 10.1002/prot.21898

Lehtiö, L.; Collins, R.; van den Berg, S.; Johansson, A.; Dahlgren, L.G.; Hammarstrom, M.; Helleday, T.; Holmberg-Schiavone, L.; Karlberg, T.; Weigelt, J.: Zinc binding catalytic domain of human tankyrase 1. , Journal of Molecular Biology : jmb 379 (2008), p. 136-145
doi: 10.1016/j.jmb.2008.03.058

2007

Ebersbach, H.; Fiedler, E.; Scheuermann, T.; Fiedler, M.; Stubbs, M.T.; Reimann, C.; Proetzel, G.; Rudolph, R.; Fiedler, U.: Affilin-Novel Binding Molecules Based on Human Gamma-B-Crystallin, an All Beta-Sheet Protein. , Journal of Molecular Biology : jmb 372 (2007), p. 172-185
doi: 10.1016/j.jmb.2007.06.045

Max, K.E.; Zeeb, M.; Bienert, R.; Balbach, J.; Heinemann, U.: 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. , FEBS Journal 274 (2007), p. 1265-1279
doi: 10.1111/j.1742-4658.2007.05672.x

Klieber, M.A.; Underhill, C.; Hammond, G.L.; Muller, Y.A.: Corticosteroid-Binding Globulin: Structural Basis for Steroid Transport and Proteinase-Triggered Release. , Journal of Biological Chemistry 282 (2007), p. 29594-29603
doi: 10.1074/jbc.M705014200

Stenmark, P.; Kursula, P.; Flodin, S.; Gräslund, S.; Landry, R.; Nordlund, P.; Schüler, H.: Crystal Structure of Human Inosine Triphosphatase : Substrate Binding and Implication of the Inosine Triphosphatase Deficiency Mutation P32T. , Journal of Biological Chemistry 282 (2007), p. 3182-3187
doi: 10.1074/jbc.M609838200

Hagelueken, G.; Wiehlmann, L.; Adams, T.M.; Kolmar, H.; Heinz, D.W.; Tümmler, B.; Schubert, W.-D.: Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 104 (2007), p. 12276-12281
doi: 10.1073/pnas.0702919104

Wollert, T.; Pasche, B.; Rochon, M.; Deppenmeier, S.; van den Heuvel, J.; Gruber, A.D.; Heinz, D.W.; Lengeling, A.; Schubert, W.D.: Extending the host range of Listeria monocytogenes by rational protein design. , Cell 129 (2007), p. 891-902
doi: 10.1016/j.cell.2007.03.049

Luckner, S.R.; Klotzsche, M.; Berens, C.; Hillen, W.; Muller, Y.A.: How an agonist peptide mimics the antibiotic tetracycline to induce Tet-repressor. , Journal of Molecular Biology : jmb 368 (2007), p. 780-790
doi: 10.1016/j.jmb.2007.02.030

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.: Ionotropic Glutamate-Like Receptor {Delta}2 Binds D-Serine and Glycine. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 104 (2007), p. 14116-14121
doi: 10.1073/pnas.0703718104

Gerlach, C.; Munzel, M.; Baum, B.; Gerber, H.-D.; Craan, T.; Diederich, W.E.; Klebe, G.: KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding. , Angewandte Chemie - International Edition 46 (2007), p. 9105-9109
doi: 10.1002/anie.200703323

Wunderlich, M.; Max, K.E.; Roske, Y.; Mueller, U.; Heinemann, U.; Schmid, F.X.: Optimization of the gbeta1 domain by computational design and by in vitro evolution: structural and energetic basis of stabilization. , Journal of Molecular Biology : jmb 373 (2007), p. 775-784
doi: 10.1016/j.jmb.2007.08.004

Max, K.E.; Wunderlich, M.; Roske, Y.; Schmid, F.X.; Heinemann, U.: Optimized variants of the cold shock protein from in vitro selection: structural basis of their high thermostability. , Journal of Molecular Biology : jmb 369 (2007), p. 1087-1097
doi: 10.1016/j.jmb.2007.04.016

Scheerer, P.; Borchert, A.; Krauss, N.; Wessner, H.; Gerth, C.; Höhne, W.; Kuhn, H.: Structural basis for catalytic activity and enzyme polymerization of phospholipid hydroperoxide glutathione peroxidase-4 (GPx4). , Biochemistry 46 (2007), p. 9041-9049
doi: 10.1021/bi700840d

Leiros, I.; Nabong, M.P.; Grosvik, K.; Ringvoll, J.; Haugland, G.T.; Uldal, L.; Reite, K.; Olsbu, I.K.; Knaevelsrud, I.; Moe, E.; Andersen, O.A.; Birkeland, N.K.; Ruoff, P.; Klungland, A.; Bjelland, S.: Structural Basis for Enzymatic Excision of N1-Methyladenine and N3-Methylcytosine from DNA. , The EMBO Journal 26 (2007), p. 2206-2217
doi: 10.1038/sj.emboj.7601662

Schleberger, C.; Sachelaru, P.; Brandsch, R.; Schulz, G.E.: Structure and Action of a Cc Bond Cleaving Alpha/Beta-Hydrolase Involved in Nicotine Degration. , Journal of Molecular Biology : jmb 367 (2007), p. 409-418
doi: 10.1016/j.jmb.2006.12.068

Zocher, G.E.; Winkler, R.; Hertweck, C.; Schulz, G.E.: Structure and Action of the N-Oxygenase Aurf from Streptomyces Thioluteus. , Journal of Molecular Biology : jmb 373 (2007), p. 65-74
doi: 10.1016/j.jmb.2007.06.014

Di Fenza, A.; Heine, A.; Koert, U.; Klebe, G.: Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions. , ChemMedChem 2 (2007), p. 297-308
doi: 10.1002/cmdc.200600185

2006

Kraft, M.; Schleberger, C.; Weckesser, J.; Schulz, G.E.: Binding Structure of the Leucine Aminopeptidase Inhibitor Microginin Fr1. , FEBS Letters 580 (2006), p. 6943-6947
doi: 10.1016/j.febslet.2006.11.060

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.: Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases. , Biochemical Journal 395 (2006), p. 483-491
doi: 10.1042/BJ20051931

Fischer, K.; Llamas, A.; Tejada-Jimenez, M.; Schrader, N.; Kuper, J.; Ataya, F.S.; Galvan, A.; Mendel, R.R.; Fernandez, E.; Schwarz, G.: Function and Structure of the Molybdenum Cofactor Carrier Protein from Chlamydomonas Reinhardtii. , Journal of Biological Chemistry 281 (2006), p. 30186-30194
doi: 10.1074/jbc.M603919200

Steuber, H.; Zentgraf, M.; Podjarny, A.; Heine, A.; Klebe, G.: High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. , Journal of Molecular Biology : jmb 356 (2006), p. 45-56
doi: 10.1016/j.jmb.2005.10.067

Jensen, A.M.L.; Sorensen, T.L.-M.; Olesen, C.; Moller, J.V.; Nissen, P.: Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump. , The EMBO Journal 25 (2006), p. 2305-2314
doi: 10.1038/sj.emboj.7601135

Frere, F.; Nentwich, M.; Gacond, S.; Heinz, D.W.; Neier, R.; Frankenberg-Dinkel, N.: Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. , Biochemistry 45 (2006), p. 8243–8253
doi: 10.1021/bi052611f

Stanley, W.A.; Filipp, F.V.; Kursula, P.; Schuller, N.; Erdmann, R.; Schliebs, W.; Sattler, M.; Wilmanns, M.: Recognition of a Functional Peroxisome Type 1 Target by the Dynamic Import Receptor Pex5P. , Molecular Cell 24 (2006), p. 653-663
doi: 10.1016/j.molcel.2006.10.024

Cuesta-Seijo, J.A.; Weiss, M.S.; Sheldrick, G.M.: Serendipitous Sad Phasing of an Echinomycin-(Acgtacgt)2 Bisintercalation Complex. , Acta Crystallographica Section D - Biological Crystallography 62 (2006), p. 417-424
doi: 10.1107/S0907444906003763

Schleberger, C.; Hochmann, H.; Barth, H.; Aktories, K.; Schulz, G.E.: Structure and Action of the Binary C2 Toxin from Clostridium Botulinum. , Journal of Molecular Biology : jmb 364 (2006), p. 705-715
doi: 10.1016/j.jmb.2006.09.002

Grueninger, D.; Schulz, G.E.: Structure and Reaction Mechanism of L-Rhamnulose Kinase from Escherichia Coli. , Journal of Molecular Biology : jmb 359 (2006), p. 787-797
doi: 10.1016/j.jmb.2006.04.013

Dickmanns, A.; Ballschmiter, M.; Liebl, W.; Ficner, R.: Structure of the novel alpha-amylase AmyC from Thermotoga maritima. , Acta Crystallographica Section D - Biological Crystallography 62 (2006), p. 262-270
doi: 10.1107/S0907444905041363

Midtgaard, S.F.; Assenholt, J.; Jonstrup, A.T.; Van, L.B.; Jensen, T.H.; Brodersen, D.E.: Structure of the nuclear exosome component Rrp6p reveals an interplay between the active site and the HRDC domain. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 103 (2006), p. 11898-11903
doi: 10.1073/pnas.0604731103

Weihofen, W.A.; Cicek, A.; Pratto, F.; Alonso, J.C.; Saenger, W.: Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription. , Nucleic Acids Research 34 (2006), p. 1450–1458
doi: 10.1093/nar/gkl015

Kursula, P.; Schüler, H.; Flodin, S.; Nilsson-Ehle, P.; Ogg, D.J.; Savitsky, P.; Nordlund, P.; Stenmark, P.: Structures of the Hydrolase Domain of Human 10-Formyltetrahydrofolate Dehydrogenase and its Complex with a Substrate Analogue. , Acta Crystallographica Section D - Biological Crystallography 62 (2006), p. 1294-1299
doi: 10.1107/S0907444906026849

Max, K.E.; Zeeb, M.; Bienert, R.; Balbach, J.; Heinemann, U.: T-rich DNA single strands bind to a preformed site on the bacterial cold shock protein Bs-CspB. , Journal of Molecular Biology : jmb 360 (2006), p. 702-714
doi: 10.1016/j.jmb.2006.05.044

Sormo, C.G.; Leiros, I.; Brembu, T.; Winge, P.; Os, V.; Bones, A.M.: The Crystal Structure of Arabidopsis Thaliana Rac7/Rop9: The First Ras Superfamily Gtpase from the Plant Kingdom. , Phytochemistry 67 (2006), p. 2332-2340
doi: 10.1016/j.phytochem.2006.08.011

Fredslund, F.; Jenner, L.; Husted, L.B.; Nyborg, J.; Andersen, G.R.; Sottrup-Jensen, L.: The structure of bovine complement component 3 reveals the basis for thioester function. , Journal of Molecular Biology : jmb 361 (2006), p. 115-127
doi: 10.1016/j.jmb.2006.06.009

2005

Specker, E.; Boettcher, J.; Lilie, H.; Heine, A.; Schoop, A.; Muller, G.; Griebenow, N.; Klebe, G.: An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors. , Angewandte Chemie - International Edition 44 (2005), p. 3140-3144
doi: 10.1002/anie.200462643

Astner, I.; Schulze, J.O.; Van Den Heuvel, J.J.; Jahn, D.; Schubert, W.-D.; Heinz, D.W.: Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans. , The EMBO Journal 24 (2005), p. 3166-3177
doi: 10.1038/sj.emboj.7600792

Buttner, C.R.; Cornelis, G.R.; Heinz, D.W.; Niemann, H.H.: Crystal Structure of Yersinia Enterocolitica Type III Secretion Chaperone Syct. , Protein Science 14 (2005), p. 1993-2002
doi: 10.1110/ps.051474605

Joergensen, R.; Merrill, A.R.; Yates, S.P.; Marquez, V.E.; Schwan, A.L.; Boesen, T.; Andersen, G.R.: Exotoxin A-eEF2 complex structure indicates ADP ribosylation by ribosome mimicry. , Nature 436 (2005), p. 979-984
doi: 10.1038/nature03871

Huber, S.K.; Scheidig, A.J.: High Resolution Crystal Structures of Human Rab4A in its Active and Inactive Conformations. , FEBS Letters 579 (2005), p. 2821-2829
doi: 10.1016/j.febslet.2005.04.020

Strasser, A.; Dickmanns, A.; Lührmann, R.; Ficner, R.: Structural basis for m(3)G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1. , The EMBO Journal 24 (2005), p. 2235-2243
doi: 10.1038/sj.emboj.7600701

Wallden, K.; Ruzzenente, B.; Rinaldo-Matthis, A.; Bianchi, V.; Nordlund, P.: Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase. , Structure 13 (2005), p. 1081-1088
doi: 10.1016/j.str.2005.04.023

Bunkoczi, G.; Vertesy, L.; Sheldrick, G.M.: Structure of the lipopeptide antibiotic tsushimycin. , Acta Crystallographica Section D - Biological Crystallography 61 (2005), p. 1160-1164
doi: 10.1107/S0907444905017270

Cuesta-Seijo, J.A.; Sheldrick, G.M.: Structures of Complexes between Echinomycin and Duplex DNA. , Acta Crystallographica Section D - Biological Crystallography 61 (2005), p. 442-448
doi: 10.1107/S090744490500137X

Bunkoczi, G.; Vertesy, L.; Sheldrick, G.M.: The Antiviral Antibiotic Feglymycin: First Direct Methods Solution of a 1000Plus Equal-Atom Structure. , Angewandte Chemie - International Edition 44 (2005), p. 1340-1342
doi: 10.1002/anie.200461933

Spreter, T.; Pech, M.; Beatrix, B.: The crystal structure of archaeal nascent polypeptide-associated complex (NAC) reveals a unique fold and the presence of a UBA domain. , Journal of Biological Chemistry 280 (2005), p. 15849-15854
doi: 10.1074/jbc.M500160200

Eiting, M.; Hagelueken, G.; Schubert, W.-D.; Heinz, D.W.: The Mutation G145S in Prfa, a Key Virulence Regulator of Listeria Monocytogenes, Increases DNA-Binding Affinity by Stabilizing the Hth Motif. , Molecular Microbiology 56 (2005), p. 433-446
doi: 10.1111/j.1365-2958.2005.04561.x

Kümmel, D.; Mueller, J.J.; Roske, Y.; Misselwitz, R.; Bussow, K.; Heinemann, U.: The Structure of the Trapp Subunit Tpc6 Suggests a Model for a Trapp Subcomplex. , EMBO Reports 6 (2005), p. 787-793
doi: 10.1038/sj.embor.7400463

2004

Vogeley, L.; Sineshchekov, O.A.; Trivedi, V.D.; Sasaki, J.; Spudich, J.L.; Luecke, H.: Anabaena sensory rhodopsin: a photochromic color sensor at 2.0 A. , Science 306 (2004), p. 1390-1393
doi: 10.1126/science.1103943

Stenmark, P.; Gurmu, D.; Nordlund, P.: Crystal Structure of CaiB, a Type-III CoA Transferase in Carnitine Metabolism. , Biochemistry 43 (2004), p. 13996-14003
doi: 10.1021/bi048481c

Weihofen, W.A.; Liu, J.; Reutter, W.; Saenger, W.; Fan, H.: Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface. , Journal of Biological Chemistry 279 (2004), p. 43330-43335
doi: 10.1074/jbc.M405001200

Qamra, R.; Mande, S.C.: Crystal Structure of the 65-Kilodalton Heat Shock Protein, Chaperonin 60.2, of Mycobacterium tuberculosis. , Journal of Bacteriology 186 (2004), p. 8105-8113
doi: 10.1128/JB.186.23.8105-8113.2004

Sorensen, T.L.-M.; Moller, J.V.; Nissen, P.: Phosphoryl transfer and calcium ion occlusion in the calcium pump. , Science 304 (2004), p. 1672-1675
doi: 10.1126/science.1099366

Crow, A.; Acheson, R.M.; Le Brun, N.E.; Oubrie, A.: Structural Basis of Redox-coupled Protein Substrate Selection by the Cytochrome c Biosynthesis Protein ResA. , Journal of Biological Chemistry 279 (2004), p. 23654-23660
doi: 10.1074/jbc.M402823200

Ericsson, U.B.; Nordlund, P.; Hallberg, B.M.: X-ray structure of tRNA pseudouridine synthase TruD reveals an inserted domain with a novel fold. , FEBS Letters 565 (2004), p. 59-64
doi: 10.1016/j.febslet.2004.03.085

2003

Layer, G.; Moser, J.; Heinz, D.W.; Jahn, D.; Schubert, W.-D.: Crystal Structure of Coproporphyrinogen III Oxidase Reveals Cofactor Geometry of Radical Sam Enzymes. , The EMBO Journal 22 (2003), p. 6214-6224
doi: 10.1093/emboj/cdg598

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