MX 14.1

MX_BEAMLINE_14.1

Publikationen

2019

Skalniak, L.; Twarda-Clapa, A.; Neochoritis, C.G.; Surmiak, E.; Machula, M.; Wisniewska, A.; Labuzek, B.; Ali, A.M.; Krzanik, S.; Dubin, G.; Groves, M.; Dömling, A.; Holak, T.A.: A fluorinated indole-based MDM2 antagonist selectively inhibits the growth of p53wt osteosarcoma cells. , FEBS Journal 286 (2019), p. 1360-1374
doi:10.1111/febs.14774

Rembacz, K.P.; Zrubek, K.M.; Golik, P.; Michalik, K.; Bogusz, J.; Wladyka, B.; Romanowska, M.; Dubin, G.: Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C). , Archives of Biochemistry and Biophysics 671 (2019), p. 1-7
doi:10.1016/j.abb.2019.05.014

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 - Biological Crystallography 75 (2019), p. 825-830
doi:10.1107/S2059798319010751

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

Mucha, O.; Podkalicka, P.; Mikulski, M.; Barwacz, S.; Andrysiak, K.; Biela, A.; Mieczkowski, M.; Kachamakova-Trojanowska, N.; Ryszawy, D.; Bialas, A.; Szelazek, B.; Grudnik, P.; Majewska, E.; Michalik, K.; Jakubiec, K.; Bien, M.; Witkowska, N.; Gluza, K.; Ekonomiuk, D.; Sitarz, K.; Galezowski, M.; Brzózka, K.; Dubin, G.; Józkowicz, A.; Dulak, J.; Loboda, A.: Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment. , Archives of Biochemistry and Biophysics 671 (2019), p. 130-142
doi:10.1016/j.abb.2019.07.002

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

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

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

Fröhlich, C.; Sørum, V.; Thomassen, A.M.; Johnsen, P.J.; Leiros, H.-K.S.; Samuelsen, O.: OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs. , mSphere 4 (2019), p. e00024-19/1-15
doi:10.1128/mSphere.00024-19

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

Puhlmann, Maximilian: Strukturelle und funktionelle Studien zur Inhibierung von Sirtuin 4. , Universität Bayreuth, 2019

Lin, T.Y.; Abbassi, N.E.H.; Zakrzewski, K.; Chramiec-Glabik, A.; Jemiol-Rzeminska, M.; Rózycki, J.; Glatt, S.: The Elongator subunit Elp3 is a non-canonical tRNA acetyltransferase. , Nature Communications 10 (2019), p. 625/1-12
doi:10.1038/s41467-019-08579-2

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

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

Gowravaram, M.; Bonneau, F.; Kanaan, J.; Maciej, V.D.; Fiorini, F.; Raj, S.; Croquette, V.; Le Hir, H.; Chakrabarti, S.: A conserved structural element in the RNA helicase UPF1 regulates its catalytic activity in an isoform-specific manner. , Nucleic Acids Research 46 (2018), p. 2648-2659
doi:10.1093/nar/gky040

Ahkter, S.; Lund, B.A.; Ismael, A.; Langer, M.; Isaksson, J.; Christopeit, T.; Leiros, H.-K.S.; Bayer, A.: A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. , European Journal of Medicinal Chemistry 145 (2018), p. 634-648
doi:10.1016/j.ejmech.2017.12.085

Döhler, Ch.; Zebisch, M.; Sträter, N.: Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3). , Scientific Reports 8 (2018), p. 10874
doi:10.1038/s41598-018-28814-y

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

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 and Crystallization 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

Pietrzyk-Brzezinska, A.J.; Absmeier, E.; Klauck, E.; Wen, Y.; Antelmann, H.; Wahl, M.C.: Crystal Structure of the Escherichia coli DExH-Box NTPase HrpB. , Structure 26 (2018), p. 1462-1473.e4
doi:10.1016/j.str.2018.07.013

Twarda-Clapa, A.; Labuzek, B.; Krzemien, D.; Musielak, B.; Grudnik, P.; Dubin, G.; Holak, T.: Crystal structure of the FAS1 domain of the hyaluronic acid receptor stabilin-2. , Acta Crystallographica Section D - Biological Crystallography 74 (2018), p. 695-701
doi:10.1107/S2059798318007271

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

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 and Crystallization Communications 74 (2018), p. 696-703
doi:10.1107/S2053230X18011111

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

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 and Crystallization 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

Zahradnik, J.; Kolarova, L.; Parizkova, H.; Kolenko, P.; Schneider, B.: Interferons type II and their receptors R1 and R2 in fish species: Evolution, structure, and function. , Fish and Shellfish Immunology 79 (2018), p. 140-152
doi:10.1016/j.fsi.2018.05.008

Wollenhaupt, J.; Henning, L.M.; Sticht, J.; Becke, C.; Freund, C.; Santos, K.F.; Wahl, M.C.: Intrinsically Disordered Protein Ntr2 Modulates the Spliceosomal RNA Helicase Brr2. , Biophysical Journal 114 (2018), p. 788-799
doi:10.1016/j.bpj.2017.12.033

Pokorná, J.; Pachl, P.; Karlukova, E.; Hejdánek, J.; Rezacova, P.; Machara, A.; Hudlický, J.; Konvalinka, J.; Kozisek, M.: Kinetic, thermodynamic, and structural analysis of drug resistance mutations in neuraminidase from the 2009 pandemic influenza virus. , Viruses 10 (2018), p. 339/1-15
doi:10.3390/v10070339

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

Weber, G.; DeKoster, G.T.; Holton, N.; Hall, K.B.; Wahl, M.C.: Molecular principles underlying dual RNA specificity in the Drosophila SNF protein. , Nature Communications 9 (2018), p. 2220
doi:10.1038/s41467-018-04561-6

Adamkova, Kristýna: Monitoring of the interaction of zinc-dependent nuclease inhibitors using X-ray crystallography and biophysical methods. , University of Chemistry and Technology, Prague, 2018

Kazokaite, J.; Niemans, R.; Dudutiene, V.; Becker, H.; Leitans, J.; Zubriene, A.; Baranauskiene, L.; Gondi, G.; Zeidler, R.; Matuliene, J.; Tars, K.; Yaromina, A.; Lambin, P.; Dubois, L.; Matulis, D.: Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. , OncoTarget 9 (2018), p. 26800-26816
doi:10.18632/oncotarget.25508

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

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

Pecina, A.; Brynda, J.; Vrzal, L.; Gnanasekaran, R.; Horejsi, M.; Eyrilmez, S.; Rezac, J.; Lepsik, M.; Rezacova, P.; Hobza, P.; Majer, P.; Veverka, V.; Fanfrlík, J.: Ranking Power of the SQM/COSMO Scoring Function on Carbonic AnhydraseII-Inhibitor Complexes. , ChemPhysChem 19 (2018), p. 873-879
doi:10.1002/cphc.201701104

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

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

Grudnik, P.; Kaminski, M.M.; Rembacz, K.P.; Kuska, K.; Madej, M.; Potempa, J.; Dawidowski, M.; Dubin, G.: Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide. , Journal of Biological Chemistry 293 (2018), p. 11088-11099
doi:10.1074/jbc.RA117.001562

Wilk, P.; Uehlein, M.; Piwowarczyk, R.; Dobbek, H.; Mueller, U.; Weiss, M.S.: Structural basis for prolidase deficiency disease mechanisms. , FEBS Journal 285 (2018), p. 3422-3441
doi:10.1111/febs.14620

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

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

Maly, Martin: Structure analysis of oxidase:ligand complexes. , Czech Technical University, Prague, 2018

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

Ehrmann, F.R.; Kalim, J.; Pfaffeneder, T.; Bernet, B.; Hohn, C.; Schäfer, E.; Botzanowski, T.; Cianférani, S.; Heine, A.; Reuter, K.; Diederich, F.; Klebe, G.: Swapping Interface Contacts in the Homodimeric tRNA-Guanine Transglycosylase: An Option for Functional Regulation. , Angewandte Chemie - International Edition 57 (2018), p. 10085-10090
doi:10.1002/anie.201804627

Jancaríková, G.; Herczeg, M.; Fujdiarová, E.; Houser, J.; Kövér, K.E.; Borbás, A.; Wimmerová, M.; Csávás, M.: Synthesis of alpha-L-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL). , Chemistry - A European Journal 24 (2018), p. 4055-4068
doi:10.1002/chem.201705853

Imber, M.; Vu Van Loi, ; Reznikov, S.; Fritsch, V.N.; Pietrzyk-Brzezinska, A.J.; Prehn, J.; Hamilton, C.; Wahl, M.C.; Bronowska, A.K.; Antelmann, H.: The aldehyde dehydrogenase AldA contributes to the hypochlorite defense and is redox-controlled by protein S-bacillithiolation in Staphylococcus aureus. , Redox Biology 15 (2018), p. 557-568
doi:10.1016/j.redox.2018.02.001

Lund, B.A.; Thomassen, A.M.; Nesheim, B.H.B.; Carlsen, T.J.O.; Isaksson, J.; Christopeit, T.; Leiros, H.-C.S.: The biological assembly of OXA-48 reveal a dimer interface high charge complementarity and very high affinity. , FEBS Journal 285 (2018), p. 4214-4228
doi:10.1111/febs.14643

Hafstrand, I.; Doorduijn, E.M; Sun, R.; Talyzina, A.; Sluijter, M.; Pellegrino, S.; Sandalova, T.; Doganay Duru, A.; van Hall, T.; Achour, A.: The Immunogenicity of a Proline-Substituted Altered Peptide Ligand toward the Cancer-Associated TEIPP Neoepitope Trh4 Is Unrelated to Complex Stability. , Journal of Immunology 200 (2018), p. 2860-2868
doi:10.4049/jimmunol.1700228

Piasecka, A.; Czapinska, H.; Vielberg, M.T.; Szczepanowski, R.H.; Kiefersauer, R.; Reed, S.; Groll, M.; Bochtler, M.: The Y. bercovieri Anbu crystal structure sheds light on the evolution of highly (pseudo)symmetric multimers. , Journal of Molecular Biology 430 (2018), p. 611-627
doi:10.1016/j.jmb.2017.11.016

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 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

Cramer, J.; Schiebel, J.; Grohe, K.; Najbauer, E.E.; Ehrmann, F.R.; Radeva, N.; Zitzer, N.; Linne, U.; Linser, R.; Heine, A.; Klebe, G.: A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. , Angewandte Chemie - International Edition 56 (2017), p. 1908-1913
doi:10.1002/anie.201609824

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

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

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

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

Stsiapanava, A.; Samuelsson, B.; Haeggström, J.Z.: Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis. , Proceedings of the National Academy of Sciences of the United States of America 114 (2017), p. 9689-9694
doi:10.1073/pnas.1710850114

Jancarikova, G.; Houser, J.; Dobes, P.; Demo, G.; Hyrsl, P.; Wimmerova, M.: Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity. , PLoS Pathogens 13 (2017), p. 1006564/1-28
doi:10.1371/journal.ppat.1006564

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

Kunze, C.; Bommer, M.; Hagen, W.R.; Uksa, M.; Dobbek, H.; Schubert, T.; Diekert, G.: Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. , Nature Communications 8 (2017), p. 15858/1-11
doi:10.1038/ncomms15858

Kumar, R.; Moche, M.; Winblad, B.; Pavlov, P.F.: Combined x-ray crystallography and computational modeling approach to investigate the Hsp90 C-terminal peptide binding to FKBP51. , Scientific Reports 7 (2017), p. 1428812-17
doi:10.1038/s41598-017-14731-z

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 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 429 (2017), p. 688-696
doi:10.1016/j.jmb.2017.01.012

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

Gustafsson, R.; Berntsson, R.P.; Martinez-Carranza, M.; El Tekle, G.; Odegrip, R.; Johnson, E.A.; Stenmark, P.: Crystal structures of OrfX2 and P47 from a Botulinum neurotoxin OrfX-type gene cluster. , FEBS Letters 591 (2017), p. 3781-3792
doi:10.1002/1873-3468.12889

Bujacz, A.; Talaj, J.A.; Zielinski, K.; Pietrzyk-Brzezinska, A.J.; Neumann, P.: Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid. , Acta Crystallographica Section D - Biological Crystallography 73 (2017), p. 896-909
doi:10.1107/S205979831701470X

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

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

Hamark, C.; Berntsson, R.P.; Masuyer, G.; Henriksson, L.M.; Gustafsson, R.; Stenmark, P.; Widmalm, G.: Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A. , Journal of the American Chemical Society 139 (2017), p. 218 - 230
doi:10.1021/jacs.6b09534

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

Homburg, C.; Bommer, M.; Wuttge, S.; Hobe, C.; Beck, S.; Dobbek, H.; Deutscher, J.; Licht, A.; Schneider, E.: Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. , Molecular Microbiology 105 (2017), p. 25-45
doi:10.1111/mmi.13680

Houser, J.; Kozmon, S.; Mishra, D.; Mishra, S.K.; Romano, P.R.; Wimmerova, M.; Koca, J.: Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL. , PLoS One 12 (2017), p. e0189375
doi:10.1371/journal.pone.0189375

Saccoliti, F.; Angiulli, G.; Pupo, G.; Pescatori, L.; Madia, V.N.; Messore, A.; Colotti, G.; Fiorillo, A.; Scipione, L.; Gramiccia, M.; Di Muccio, T.; Di Santo, R.; Costi, R.; Ilari, A.: Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives. , Journal of Enzyme Inhibition and Medicinal Chemistry 32 (2017), p. 304-310
doi:10.1080/14756366.2016.1250755

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

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

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

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 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

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

Hauf, M.; Richter, F.; Schneider, T.; Faidt, T.; Martins, B.M.; Baumann, T.; Durkin, P.; Dobbek, H.; Jacobs, K.; Moeglich, A.; Budisa, N.: Photoactivatable Mussel-Based Underwater Adhesive Proteins by an Expanded Genetic Code. , ChemBioChem 18 (2017), p. 1819-1823
doi:10.1002/cbic.201700327

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

Werther, T.; Wahlefeld, S.; Salewski, J.; Kuhlmann, U.; Zebger, I.; Hildebrandt, P.; Dobbek, H.: Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase. , Nature Communications 8 (2017), p. 16084/1-8
doi:10.1038/ncomms16084

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

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

Guzik, K.; Zak, K.M.; Grudnik, P.; Magiera, K.; Musielak, B.; Törner, R.; Skalniak, L.; Dömling, A.; Dubin, G.; Holak, T.A.: Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. , Journal of Medicinal Chemistry 60 (2017), p. 5857-5867
doi:10.1021/acs.jmedchem.7b00293

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

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

Said, N.; Krupp, F.; Anedchenko, E.; Santos, K.F.; Dybkov, O.; Huang, Y.H.; Lee, C.T.; Loll, B.; Behrmann, E.; Burger, J.; Mielke, T.; Loerke, J.; Urlaub, H.; Spahn, C.M.T.; Weber, G.; Wahl, M.C.: Structural basis for lambda N-dependent processive transcription antitermination. , Nature Microbiology 2 (2017), p. 17062-17062
doi:10.1038/nmicrobiol.2017.62

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

Sviridova, E.; Rezacova, P.; Bondar, A.; Veverka, V.; Novak, P.; Schenk, G.; Svergun, D.I.; Smatanova, I.K.; Bumba, L.: Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. , Scientific Reports 7 (2017), p. 40408/1-14
doi:10.1038/srep40408

Brogi, S.; Fiorillo, A.; Chemi, G.; Butini, S.; Lalle, M.; Ilari, A.; Gemma, S.; Campiani, G.: Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX. , European Journal of Medicinal Chemistry 135 (2017), p. 479-490
doi:10.1016/j.ejmech.2017.04.057

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

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

Melo, A.; Hegde, B.; Shah, C.; Larsson, E.; Isas, J.; Kunz, S.; Lundmark, R.; Langen, R.; Daumke, O.: Structural insights into the activation mechanism of dynamin-like EHD ATPases. , Proceedings of the National Academy of Sciences of the United States of America 114 (2017), p. 5629-5634
doi:10.1073/pnas.1614075114

Leupold, S.; Busing, P.; Mas, P.J.; Hart, D.J.; Scrima, A.: Structural insights into the architecture of the Shigella flexneri virulence factor IcsA/VirG and motifs involved in polar distribution and secretion. , Journal of Structural Biology 198 (2017), p. 19-27
doi:10.1016/j.jsb.2017.03.003

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

Skagseth, S.; Christopeit, T.; Akhter, S.; Bayer, A.; Samuelsen, O.; Leiros, H.-K.S.: Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding. , Antimicrobial Agents and Chemotherapy 61 (2017), p. e02602-16/1-19
doi:10.1128/AAC.02602-16

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

Scaglione, A.; Fullone, M.R.; Montemiglio, L.C.; Parisi, G.; Zamparelli, C.; Vallone, B.; Savino, C.; Grgurina, I.: Structure of the adenylation domain Thr1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces sp. OH-5093-protein flexibility and molecular bases of substrate specificity. , FEBS Journal 284 (2017), p. 2981-2999
doi:10.1111/febs.14163

Lund, B.A.; Thomassen, A.M.; Olsen Carlsen, T.J.; Leiros, H.-K.S.: Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 73 (2017), p. 579-587
doi:10.1107/S2053230X17013838

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

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.; Muller, 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

Röwer, Karine; Weiss, Manfred S.: The expert MX data processing system XDSAPP. , Ninth Joint BER II and BESSY II User Meeting Berlin, 13.12.2017 - 15.12.2017 (2017)

Röwer, Karine; Schiebel, Johannes; Huschmann, Franziska; Heine, Andreas; Klebe, Gerhard; Mueller, Uwe; Weiss, Manfred S.: The expert system XDSAPP for data processing and fragment-screening. , 25th Annual Meeting of the German Crystallographic Society Karlsruhe, 27.03.2017 - 30.03.2017 (2017)

Röwer, Karine; Weiss, Manfred S.: The HZB Fragment-Screening Manager. , 20th Heart of Europe Biocrystallography Meeting Jelenia Góra, Poland, 28.09.2017 - 30.09.2017 (2017)

Mihelic, M.; Vlahovicek-Kahlina, K.; Renko, M.; Mesnage, S.; Dobersek, A.; Taler-Vercic, A.; Jakas, A.; Turk, D.: The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers. , IUCrJ 4 (2017), p. 185-198
doi:10.1107/S2052252517000367

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

Zhang, W.; Eibl, C.; Weeks, A.M.; Riva, I.; Li, Y.J.; Plested, A.J.R.; Howe, J.R.: Unitary Properties of AMPA Receptors with Reduced Desensitization. , Biophysical Journal 113 (2017), p. 2218-2235
doi:10.1016/j.bpj.2017.07.030

Röwer, Karine; Tjörnhammar, Richard; Lohkamp, Bernhard; Weiss, Manfred S.: X-ray crystallographic approaches to protein dynamics. , The Future of Structural Biology within the Röntgen-Ångström-Cluster Greifswald, 09.10.2017 - 10.10.2017 (2017)

2016

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

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

Sparta, Karine; Schiebel, Johannes; Huschmann, Franziska; Ühlein, Monika; Heine, Andreas; Klebe, Gerhard; Weiss, Manfred S.; Mueller, Uwe: Automated software solutions for fragment-screening at the HZB-MX beamlines. , 24th Annual Meeting of the German Crystallographic Association Stuttgart, 13.03.2016 - 17.03.2016 (2016)

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

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

Bumba, L.; Masin, J.; Macek, P.; Wald, T.; Motlova, L.; Bibova, I.; Klimova, N.; Bednarova, L.; Veverka, V.; Kachala, M.; Svergun, D.I.; Barinka, C.; Sebo, P.: Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts. , Molecular Cell 62 (2016), p. 47-62
doi:10.1016/j.molcel.2016.03.018

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

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

Bock, T.; Mueller, R.; Blankenfeldt, W.: Crystal structure of AibC, a reductase involved in alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 72 (2016), p. 652-658
doi:10.1107/S2053230X16011146

Koch, C.; Neumann, P.; Valerius, O.; Feussner, I.; Ficner, R.: Crystal Structure of Alcohol Oxidase from Pichia pastoris. , PLoS One 11 (2016), p. e0149846/1-17
doi:10.1371/journal.pone.0149846

Pippel, J.; Kuettner, E.B.; Ulbricht, D.; Daberger, J.; Schultz, S.; Heiker, J.T.; Sträter, N.: Crystal structure of cleaved vaspin (serpinA12). , Biological Chemistry 397 (2016), p. 111-123
doi:10.1515/hsz-2015-0229

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

Mikulecky, P.; Zahradnik, J.; Kolenko, P.; Cerny, J.; Charnavets, T.; Kolarova, L.; Necasova, I.; Phuong Ngoc Pham, ; Schneider, B.: Crystal structure of human interferon-gamma receptor 2 reveals the structural basis for receptor specificity. , Acta Crystallographica Section D - Biological Crystallography 72 (2016), p. 1017-1025
doi:10.1107/S2059798316012237

Bock, T.; Kasten, J.; Mueller, R.; Blankenfeldt, W.: Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus. , ChemBioChem 17 (2016), p. 1257-1262
doi:10.1002/cbic.201600070

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 and Crystallization 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

Sliwiak, J.; Dolot, R.; Michalska, K.; Szpotkowski, K.; Bujacz, G.; Sikorski, M.; Jaskolski, M.: Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein. , Journal of Structural Biology 193 (2016), p. 55-66
doi:10.1016/j.jsb.2015.11.008

Weiss, Manfred: Crystallographic Fragment Screening at the HZB-MX Beam Lines. , Seminar Universität Würzburg, 02.06.2016 - 02.06.2016 (2016)

Weiss, Manfred: Crystallographic Fragment Screening at the HZB-MX Beamlines. , Structural Biology Seminar CCMB Hyderabad, 04.03.2016 - 04.03.2016 (2016)

Weiss, Manfred: Crystallographic Fragment Screening at the HZB-MX Beamlines. , Structural Biology Seminar IIT Mumbai, Indien, 06.01.2016 - 06.01.2016 (2016)

Weiss, Manfred: Crystallographic Fragment-Screening at the HZB-MX Beamlines. , Macromolecular Crystallography and in situ-screening (MXIS) Grenoble, 30.11.2016 - 02.12.2016 (2016)

Weiss, Manfred: Crystallographic Fragment-Screening at the HZB-MX Beamlines. , Dilemmas in Structural Biology Athens, 14.02.2016 - 17.02.2016 (2016)

Weiss, Manfred: Crystallographic fragment-screening – before, after or instead of pre-screening? , Protein Structure Determination in Industry (PSDI) Malmö, 13.11.2016 - 15.11.2016 (2016)

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

Graczer, E.; Szimler, T.; Garamszegi, A.; Konarev, P.V.; Labas, A.; Olah, J.; Pallo, A.; Svergun, D.I.; Merli, A.; Zavodszky, P.; Weiss, M.S.; Vast, M.: Dual Role of the Active Site Residues of Thermus thermophilus 3-Isopropylmalate Dehydrogenase: Chemical Catalysis and Domain Closure. , Biochemistry 55 (2016), p. 560-574
doi:10.1021/acs.biochem.5b00839

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

Brezovsky, J.; Babkova, P.; Degtjarik, O.; Fortova, A.; Gora, A.; Iermak, I.; Rezacova, P.; Dvorak, P.; Smatanova, I.K.; Prokop, Z.; Chaloupkova, R.; Damborsky, J.: Engineering a de Novo Transport Tunnel. , ACS Catalysis 6 (2016), p. 7597-7610
doi:10.1021/acscatal.6b02081

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

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

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

Brautigam, L.; Pudelko, L.; Jemth, A.-S.; Gad, H.; Narwal, M.; Gustafsson, R.; Karsten, S.; Puigvert, J.C.; Homan, E.; Berndt, C.; Warpman Berglund, U.; Stenmark, P.; Helleday, T.: Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition. , Cancer Research 76 (2016), p. 2366-2375
doi:10.1158/0008-5472.CAN-15-2380

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

Weiss, Manfred: Macromolecular Crystallography at the BESSY II Storage Ring of the HZB. , Seminar TU Berlin, 12.01.2016 - 12.01.2016 (2016)

Sparta, Karine; Weiss, Manfred S.: Macromolecular Crystallography at the Helmholtz-Zentrum Berlin. , Seminar Kristallographie Institut für Kristallographie, RWTH Aachen, 26.04.2016 - 26.04.2016 (2016)

Cretu, C.; Schmitzova, J.; Ponce-Salvatierra, A.; Dybkov, O.; De laurentiis, E.I.; Sharma, K.; Will, C.L.; Urlaub, H.; Luehrmann, R.; Pena, V.: Molecular Architecture of SF3b and Structural Consequences of Its Cancer-Related Mutations. , Molecular Cell 64 (2016), p. 307-319
doi:10.1016/j.molcel.2016.08.036

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 - Biological Crystallography 72 (2016), p. 1241-1253
doi:10.1107/S2059798316016697

Valerie, N.C.; Hagenkort, A.; Page, B.D.; Masuyer, G.; Rehling, D.; Carter, M.; Bevc, L.; Herr, P.; Homan, E.; Sheppard, N.G.; Stenmark, P.; Jemth, A.S.; Helleday, T.: NUDT15 hydrolyzes 6-thio-deoxyGTP to mediate the anticancer efficacy of 6-thioguanine. , Cancer Research 76 (2016), p. 5501–5511
doi:10.1158/0008-5472.CAN-16-0584

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

Rothweiler, U.; Stensen, W.; Brandsdal, B.O.; Isaksson, J.; Leeson, F.A.; Engh, R.A.; Svendsen, J.S.: Probing the ATP-binding pocket of protein kinase DYRK1A with benzothiazole fragment molecules. , Journal of Medicinal Chemistry 59 (2016), p. 9814-9824
doi:10.1021/acs.jmedchem.6b01086

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

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

Krimmer, S.G.; Cramer, J.; Betz, M.; Fridh, V.; Karlsson, R.; Heine, A.; Klebe, G.: Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands. , Journal of Medicinal Chemistry 59 (2016), p. 10530-10548
doi:10.1021/acs.jmedchem.6b00998

Baumgärtel, P.; Witt, M.; Baensch, J.; Fabarius, M.; Erko, A.; Schäfers, F.; Schirmacher, H.: RAY-UI: A Powerful and Extensible User Interface for RAY. , AIP Conference Proceedings 1741 (2016), p. 040016/1-4
doi:10.1063/1.4952888

Ilari, A.; Pescatori, L.; Di Santo, R.; Battistoni, A.; Ammendola, S.; Falconi, M.; Berlutti, F.; Valenti, P.; Chiancone, E.: Salmonella enterica serovar Typhimurium growth is inhibited by the concomitant binding of Zn(II) and a pyrrolyl-hydroxamate to ZnuA, the soluble component of the ZnuABC transporter. , Biochimica et Biophysica Acta - General Subjects 1860 (2016), p. 534-541
doi:10.1016/j.bbagen.2015.12.006

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

Kouznetsova, E.; Kanno, T.; Karlberg, T.; Thorsell, A.-G.; Wisniewska, M.; Kursula, P.; Sjögren, C.; Schüler, H.: Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis. , Structure 24 (2016), p. 789-796
doi:10.1016/j.str.2016.03.021

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

Tauchert, Marcel J; Fourmann, Jean-Baptiste; Christian, Henning; Luehrmann, Reinhard; Ficner, Ralf: Structural and functional analysis of the RNA helicase Prp43 from the thermophilic eukaryote Chaetomium thermophilum. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 72 (2016), p. 112-120
doi:10.1107/S2053230X15024498

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

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

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 and Crystallization Communications 72 (2016), p. 224-233
doi:10.1107/S2053230X1600162X

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 and Crystallization Communications 72 (2016), p. 65-71
doi:10.1107/S2053230X15023869

Olal, D.; Daumke, O.: Structure of the Hantavirus Nucleoprotein Provides Insights into the Mechanism of RNA Encapsidation. , Cell Reports 14 (2016), p. 2092-2099
doi:10.1016/j.celrep.2016.02.005

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 113 (2016), p. 11196-11201
doi:10.1073/pnas.1613630113

Kundu, P.; Biswas, R.; Mukherjee, S.; Reinhard, L.; Dutta, A.; Mueller-Dieckmann, J.; Weiss, M.S.; Pal, N.K.; Das, A.K.: Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28. , Journal of Biological Chemistry 291 (2016), p. 13943-13954
doi:10.1074/jbc.M116.726422

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 and Crystallization Communications 72 (2016), p. 346-355
doi:10.1107/S2053230X16004623

Sparta, Karine; Mueller, Uwe; Heinemann, Udo; Weiss, Manfred S.: The automated expert processing system XDSAPP. , 30th Meeting of the European Crystallographic Association Basel, 28.08.2016 - 01.09.2016 (2016)

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

Sparta, Karine; Weiss, Manfred S.: The expert data processing system XDSAPP. , 7th Joint Berlin MX Day Berlin, 28.09.2016 - 28.09.2016 (2016)

Röwer, Karine; Weiss, Manfred S.: The expert MX data processing system XDSAPP. , Eighth Joint BER II and BESSY II User Meeting Berlin, 07.12.2016 - 09.12.2016 (2016)

Schulte, K.; Pawlowski, N.; Faelber, K.; Fröhlich, C.; Howard, J.; Daumke, O.: The immunity-related GTPase Irga6 dimerizes in a parallel head-to-head fashion. , BMC Biology 14 (2016), p. 14/1-8
doi:10.1186/s12915-016-0236-7

Hafstrand, I.; Doorduijn, E.M.; Doganay Duru, A.; Buratto, J.; Cunha Oliveira, C.; Sandalova, T.; van Hall, T.; Achour, A.: The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer. , Journal of Immunology 196 (2016), p. 2327-2334
doi:10.4049/jimmunol.1502249

Gerlach, M.; Müller, U.; Weiss, M.S.: The MX Beamlines BL14.1-3 at BESSY II. , Journal of Large Scale Research Facilities JLSRF 2 (2016), p. 2-47
doi:10.17815/jlsrf-2-64

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

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

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 112 (2015), p. 5011-5016
doi:10.1073/pnas.1422054112

Ulbricht, D.; Pippel, J.; Schultz, S.; Meier, R.; Straeter, N.; Heiker, J.T.: A unique serpin P1 ' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). , Biochemical Journal 470 (2015), p. 357-367
doi:10.1042/BJ20150643

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

Stellmacher, L.; Sandalova, T.; Leptihn, S.; Schneider, G.; Sprenger, G.A.; Samland, A.K.: Acid-Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase. , ChemCatChem 7 (2015), p. 3140-3151
doi:10.1002/cctc.201500478

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

Kuhle, B.; Eulig, N.K.; Ficner, R.: Architecture of the eIF2B regulatory subcomplex and its implications for the regulation of guanine nucleotide exchange on eIF2. , Nucleic Acids Research 43 (2015), p. 9994-10014
doi:10.1093/nar/gkv930

Sparta, Karine; Schiebel, Johannes; Huschmann, Franziska; Ühlein, Monika; Heine, Andreas; Klebe, Gerhard; Heinemann, Udo; Weiss, Manfred S.; Mueller, Uwe: Automated software solutions for structural biology at the HZB MX beamlines. , Seventh Joint BER II and BESSY II User Meeting Adlershof, Berlin, 09.12.2015 - 11.12.2015 (2015)

Sparta, Karine; Schiebel, Johannes; Huschmann, Franziska; Ühlein, Monika; Heine, Andreas; Klebe, Gerhard; Weiss, Manfred S.; Mueller, Uwe: Automated solutions for fragment screening at the HZB MX beamlines. , 29th European Crystallographic Meeting Rovinj, Kroatien, 23.08.2015 - 28.08.2015 (2015)

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 427 (2015), p. 3086-3095
doi:10.1016/j.jmb.2015.07.020

Bujacz, A.; Rutkiewicz-Krotewicz, M.; Nowakowska-Sapota, K.; Turkiewicz, M.: Crystal structure and enzymatic properties of a broad substrate-specificity psychrophilic aminotransferase from the Antarctic soil bacterium Psychrobacter sp B6. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 632-645
doi:10.1107/S1399004714028016

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

Skaar, K.; Claesson, M.; Odegrip, R.; Högbom, M.; Haggard-Ljungquist, E.; Stenmark, P.: Crystal structure of the bacteriophage P2 integrase catalytic domain. , FEBS Letters 589 (2015), p. 3556-3563
doi:10.1016/j.febslet.2015.09.026

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

Carter, M.; Jemth, A.S.; Hagenkort, A.; Page, B.D.G.; Gustafsson, R.; Griese, J.J.; Gad, H.; Valerie, N.C.K.; Desroses, M.; Boström, J.; Warpman Berglund, U.; Helleday, T.; Stenmark, P.: Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2. , Nature Communications 6 (2015), p. 7871/1-10
doi:10.1038/ncomms8871

Poyraz, O.; Brunner, K.; Lohkamp, B.; Axelsson, H.; Hammarstrom, L.G.J.; Schnell, R.; Schneider, G.: Crystal Structures of the Kinase Domain of the Sulfate-Activating Complex in Mycobacterium tuberculosis. , PLoS One 10 (2015), p. e0121494/1-19
doi:10.1371/journal.pone.0121494

Tishchenko, S.; Gabdulkhakov, A.; Trubitsina, L.; Lisov, A.; Zakharova, M.; Leontievsky, A.: Crystallization and X-ray diffraction studies of a two-domain laccase from Streptomyces griseoflavus. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 71 (2015), p. 1200-1204
doi:10.1107/S2053230X15014375

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 and Crystallization Communications 71 (2015), p. 1475-80
doi:10.1107/S2053230X15020270

Huschmann, Franziska; Förster, Ronald; Heine, Andreas; Hellmig, Michael; Klebe, Gerhard; Linnik, Jana; Malecki, Piotr; Metz, Alexander; Radeva, Nadyalka; Röwer, Martin; Schiebel, Johannes; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Weiss, Manfred; Mueller, Uwe: Crystallographic fragment-screening at the HZB. , HEC Kutna Hora, 24.09.2015 - 26.09.2015 (2015)

Huschmann, Franziska; Förster, Ronald; Heine, Andreas; Hellmig, Michael; Klebe, Gerhard; Linnik, Jana; Malecki, Piotr; Metz, Alexander; Radeva, Nadyalka; Röwer, Martin; Schiebel, Johannes; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Weiss, Manfred; Mueller, Uwe: Crystallographic fragment-screening – Results from the HZB-Marburg collaboration. , ECM Rovinj, 23.08.2015 - 28.08.2015 (2015)

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

Christopeit, T.; Carlsen, T.J.O.; Helland, R.; Leiros, H.-K.S.: Discovery of Novel Inhibitor Scaffolds against the Metallo-beta-lactamase VIM-2 by Surface Plasmon Resonance (SPR) Based Fragment Screening. , Journal of Medicinal Chemistry 58 (2015), p. 8671-8682
doi:10.1021/acs.jmedchem.5b01289

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

Sparta, Karine; Weiss, Manfred S.; Förster, Ronald; Gerlach, Martin; Hellmig, Michael; Huschmann, Franziska U.; Kastner, Alexandra; Malecki, Piotr; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Mueller, Uwe: Facilities for Macromolecular Crystallography at the HZB. , 3rd workshop of the Helmholtz Association „Cross Program Activity Structural Biology“ MDC, Berlin-Buch, 05.11.2015 - 06.11.2015 (2015)

Skalova, T.; Blaha, J.; Harlos, K.; Duskova, J.; Koval', T.; Stransky, J.; Hasek, J.; Vanek, O.; Dohnalek, J.: Four crystal structures of human LLT1, a ligand of human NKR-P1, in varied glycosylation and oligomerization states. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 578-591
doi:10.1107/S1399004714027928

Sparta, Karine; Mueller, Uwe; Weiss, Manfred S.; Ühlein, Monika; Huschmann, Franziska; Schiebel, Johannes; Heine, Andreas; Klebe, Gerhard; Heinemann, Udo: From data collection to ligand hits: XDSAPP and automated refinement pipeline. , 23. Jahrestagung der Deutschen Gesellschaft für Kristallographie Göttingen, 16.03.2015 - 19.03.2015 (2015)

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 and Crystallization 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

Mejdrova, I.; Chalupska, D.; Kögler, M.; Sala, M.; Plackova, P.; Baumlova, A.; Hrebabecky, H.; Prochazkova, E.; Dejmek, M.; Guillon, R.; Strunin, D.; Weber, J.; Lee, G.; Birkus, G.; Mertlikova-Kaiserova, H.; Boura, E.; Nencka, R.: Highly Selective Phosphatidylinositol 4-Kinase IIIβ Inhibitors and Structural Insight into Their Mode of Action. , Journal of Medicinal Chemistry 58 (2015), p. 3767-3793
doi:10.1021/acs.jmedchem.5b00499

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

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

Pachl, P.; Fabry, M.; Veverka, V.; Brynda, J.; Rezacova, P.: Kinetic and structural characterization of an alternatively spliced variant of human mitochondrial 5'(3')-deoxyribonucleotidase. , Journal of Enzyme Inhibition and Medicinal Chemistry 30 (2015), p. 63-68
doi:10.3109/14756366.2013.879577

Sparta, Karine; Huschmann, Franziska; Weiss, Manfred S.; Mueller, Uwe: Large scale facility research infrastructure for X-ray data collection at HZB. , Seminar Orvosi Biokémia Intézet, Semmelweis University, Budapest, Hungary, 18.12.2015 - 18.12.2015 (2015)

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 and Crystallization Communications 71 (2015), p. 1408-1415
doi:10.1107/S2053230X15018324

Oden, F.; Marino, S.; Brand, J.; Scheu, S.; Kriegel, C.; Olal, D.; Takvorian, A.; Westermann, J.; Yilmaz, B.; Hinz, M.; Daumke, O.; Höpken, U.; Müller, G.; Lipp, M.: Potent anti-tumor response by targeting B cell maturation antigen (BCMA) in a mouse model of multiple myeloma. , Molecular Oncology 9 (2015), p. 1348-1358
doi:10.1016/j.molonc.2015.03.010

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

Tishchenko, S.; Kostareva, O.; Gabdulkhakov, A.; Mikhaylina, A.; Nikonova, E.; Nevskaya, N.; Sarskikh, A.; Piendl, W.; Garber, M.; Nikonov, S.: Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 376-386
doi:10.1107/S1399004714026248

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

Barandun, L.J.; Ehrmann, F.R.; Zimmerli, D.; Immekus, F.; Giroud, M.; Gruenenfelder, C.; Schweizer, W.B.; Bernet, B.; Betz, M.; Heine, A.; Klebe, G.; Diederich, F.: Replacement of water molecules in a phosphate binding site by furanoside-appended lin-benzoguanine ligands of tRNA-guanine transglycosylase (TGT). , Chemistry - A European Journal 21 (2015), p. 126-135
doi:10.1002/chem.201405764

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

Port, S.A.; Monecke, T.; Dickmanns, A.; Spillner, C.; Hofele, R.; Urlaub, H.; Ficner, R.; Kehlenbach, R.H.: Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-Binding Sites Involved in Nuclear Export. , Cell Reports 13 (2015), p. 690-702
doi:10.1016/j.celrep.2015.09.042

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

Karlberg, T.; Klepsch, M.; Thorsell, A.G.; Andersson, C.D.; Linusson, A.; Schüler, H.: Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein. , Journal of Biological Chemistry 290 (2015), p. 7336-7344
doi:10.1074/jbc.M114.630160

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

Tresaugues, L.; Lundbäck, T.; Welin, M.; Flodin, S.; Nyman, T.; Silvander, C.; Gräslund, S.; Nordlund, P.: Structural Basis for the Specificity of Human NUDT16 and Its Regulation by Inosine Monophosphate. , PLoS One 10 (2015), p. e0131507/1-20
doi:10.1371/journal.pone.0131507

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

Kurteva-Yaneva, N.; Zahn, M.; Weichler, M.-T.; Starke, R.; Harms, H.; Müller, R.H.; Sträter, N.; Rohwerder, T.: Structural Basis of the Stereospecificity of Bacterial B12-dependent 2-Hydroxyisobutyryl-CoA Mutase. , Journal of Biological Chemistry 290 (2015), p. 9727-9737
doi:10.1074/jbc.M115.645689

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

Reinhard, L.; Sridhara, S.; Hällberg, B.M.: Structure of the nuclease subunit of human mitochondrial RNase P. , Nucleic Acids Research 43 (2015), p. 5664–5672
doi:10.1093/nar/gkv481

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

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 427 (2015), p. 2840-2851
doi:10.1016/j.jmb.2015.06.023

Huschmann, Franziska; Förster, Ronald; Heine, Andreas; Hellmig, Michael; Klebe, Gerhard; Linnik, Jana; Malecki, Piotr; Metz, Alexander; Radeva, Nadyalka; Röwer, Martin; Schiebel, Johannes; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Weiss, Manfred; Mueller, Uwe: Synchrotron based fragment screening at the HZB. , DGK Göttingen, 16.03.2015 - 19.03.2015 (2015)

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 112 (2015), p. 6694-6699
doi:10.1073/pnas.1421804112

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 427 (2015), p. 433-442
doi:10.1016/j.jmb.2014.12.005

Scheerer, P.; Zhang, F.; Kalms, J.; von Stetten, D.; Krauss, N.; Oberpichler, I.; Lamparter, T.: The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways. , Journal of Biological Chemistry 290 (2015), p. 11504-11514
doi:10.1074/jbc.M115.637868

Klima, M.; Baumlova, A.; Chalupska, D.; Hrebabecky, H.; Dejmek, M.; Nencka, R.; Boura, E.: The high-resolution crystal structure of phosphatidylinositol 4-kinase IIβ and the crystal structure of phosphatidylinositol 4-kinase IIα containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 1555-1563
doi:10.1107/S1399004715009505

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. , European Physical Journal Plus 130 (2015), p. 141/1-10
doi:10.1140/epjp/i2015-15141-2

Kuhnert, M.; Koester, H.; Bartholomaeus, R.; Park, A.Y.; Shahim, A.; Heine, A.; Steuber, H.; Klebe, G.; Diederich, W.E.: Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors. , Angewandte Chemie - International Edition 54 (2015), p. 2849-2853
doi:10.1002/anie.201411206

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

Bommer, Martin; Sparta, Karine; Dobbek, Holger; Weiss, Manfred S.; Mueller, Uwe: A guide to data collection using the beamline 14.1 Pilatus 6M detector. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Kopera, E.; Bal, W.; Lenarcic Zivkovic, M.; Dvornyk, A.; Kludkiewicz, B.; Grzelak, K.; Zhukov, I.; Zagorski-Ostoja, W.; Jaskolski, M.; Krzywda, S.: Atomic Resolution Structure of a Protein Prepared by Non-Enzymatic His-Tag Removal. Crystallographic and NMR Study of GmSPI-2 Inhibitor. , PLoS One 9 (2014), p. e106936/1-11
doi:10.1371/journal.pone.0106936

Sparta, Karine; Mueller, Uwe; S.Weiss, Manfred; Heinemann, Udo: Automatic data processing using XDSAPP v1.0. , 22nd Annual Conference of the German Crystallographic Society Berlin, 17.03.2014 - 20.03.2014 (2014)

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 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

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
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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
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Pietrzyk, A.J.; Bujacz, A.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Crystal Structure of Bombyx mori Lipoprotein 6: Comparative Structural Analysis of the 30-kDa Lipoprotein Family. , PLoS One 9 (2014), p. e108761/1-10
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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
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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
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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
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Barak, R.; Lahmi, R.; Gevorkyan-Airapetov, L.; Levy, E.; Tzur, A.; Opatowsky, Y.: Crystal structure of the extracellular juxtamembrane region of Robo1. , Journal of Structural Biology 186 (2014), p. 283-291
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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

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

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 and Crystallization 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 and Crystallization 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 = Biokhimiya 79 (2014), p. 469-477
doi:10.1134/S0006297914050113

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

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 and Crystallization Communications 70 (2014), p. 467-469
doi:10.1107/S2053230X14004014

Weiss, Manfred S.; Förster, Ronald; Hellmig, Michael; Huschmann, Franziska; Kolibacz, Eric; Malecki, Piotr; Röwer, Martin; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Mueller, Uwe: Facilities for Macromolecular Crystallography at the HZB. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Huschmann, Franziska; Förster, Ronald; Heine, Andreas; Hellmig, Michael; Klebe, Gerhard; Linnik, Jana; Malecki, Piotr; Metz, Alexander; Radeva, Nedyalka; Röwer, Martin; Schiebel, Johannes; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Weiss, Manfred S.; Mueller, Uwe: Frag2Xtal: Fragment screening at the MX-beamlines of the Helmholtz-Zentrum Berlin. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Schiebel, Johannes; Radeva, Nedyalka; Franziska, Huschmann; Alexander, Metz; Park, Ahyoung; Ühlein, Monika; Sparta, Karine; Weiss, Manfred; Heine, Andreas; Mueller, Uwe; Klebe, Gerhard: Frag2Xtal: Lessons Learned from Crystallographic Fragment Screening. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Huschmann, F. U.; Ühlein, M.; Linnik, J.; Radeva, N.; Metz, A.; Sparta, K.; Schiebel, J.; Heine, A.; Klebe, G.; Weiss, M. S.; Mueller, U.: Fragment screening at the MX-beamlines of the Helmholtz-Zentrum Berlin. , HEC-17, 17th Heart-of-Europe Bio-Crystallography Meeting Berlin, 25.09.2014 - 27.09.2014 (2014)

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

Sparta, Karine; Mueller, Uwe; Weiss, Manfred S.; Heinemann, Udo: New advances in XDSAPP. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Karine, Sparta; Uwe, Mueller; Michael, Krug; Udo, Heinemann; Manfred S., Weiss: New advances in XDSAPP, the expert GUI for automated diffraction data processing using XDS. , 17th Heart-of-Europe Bio-Crystallography Meeting 2014 Berlin, 25.09.2014 - 27.09.2014 (2014)

Sparta, Karine; Mueller, Uwe; Weiss, Manfred S.; Heinemann, Udo: New advances in XDSAPP, the expert GUI for automated diffraction data processing using XDS. , Fifth Joint Berlin MX-day Berlin, 15.10.2014 - 15.10.2014 (2014)

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

Sakai, F.; Yang, G.; Weiss, M.S.; Liu, Y.; Chen, G.; Jiang, M.: Protein crystalline frameworks with controllable interpenetration directed by dual supramolecular interactions. , Nature Communications 5 (2014), p. 4634/1-8
doi:10.1038/ncomms5634

Tykvart, J.; Schimer, J.; Barinkova, J.; Pachl, P.; Postova-Slavetinska, L.; Majer, P.; Konvalinka, J.; Sacha, P.: Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. , Bioorganic & Medicinal Chemistry 22 (2014), p. 4099-4108
doi:10.1016/j.bmc.2014.05.061

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

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

Roth, C.; Wei, R.; Oeser, T.; Then, J.; Foellner, C.; Zimmermann, W.; Straeter, N.: Structural and functional studies on a thermostable polyethylene terephthalate degrading hydrolase from Thermobifida fusca. , Applied Microbiology and Biotechnology 98 (2014), p. 7815-7823
doi:10.1007/s00253-014-5672-0

Klyashtorny, V.G.; Fufina, T.Yu.; Vasilieva, L.G.; Shuvalov, V.A.; Gabdulkhakov, A.G.: Structural and preliminary molecular dynamics studies of the Rhodobacter sphaeroides reaction center and its mutant form L(M196)H + H(M202)L. , Crystallography Reports 59 (2014), p. 536-541
doi:10.1134/S1063774514040099

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

Behrmann, H.; Lürick, A.; Kuhlee, A.; Kleine Balderhaar, H.; Bröcker, C.; Kümmel, D.; Engelbrecht-Vandré, S.; Gohlke, U.; Raunser, S.; Heinemann, U.; Ungermann, C.: Structural identification of the Vps18 β-propeller reveals a critical role in the HOPS complex stability and function. , Journal of Biological Chemistry 289 (2014), p. 33503-33512
doi:10.1074/jbc.M114.602714

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

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

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

Bujacz, A.; Zielinski, K.; Sekula, B.: Strucural studies of bovine, equine, and leporine serum albumin complexes with naproxen. , Proteins - Structure, Function and Bioinformatics 82 (2014), p. 2199-2208
doi:10.1002/prot.24583

Baumlova, A.; Chalupska, D.; Rozycki, B.; Jovic, M.; Wisniewski, E.; Klima, M.; Dubankova, A.; Kloer, D.P.; Nencka, R.; Balla, T.; Boura, E.: The crystal structure of the phosphatidylinositol 4-kinase II alpha. , EMBO Reports 15 (2014), p. 1085-1092
doi:10.15252/embr.201438841

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 426 (2014), p. 1871-1882
doi:10.1016/j.jmb.2014.02.018

Neznansky, A.; Blus-Kadosh, I.; Yerushalmi, G.; Banin, E.; Opatowsky, Y.: The Pseudomonas aeruginosa phosphate transport protein PstS plays a phosphate-independent role in biofilm formation. , The FASEB Journal 28 (2014), p. 1-11
doi:10.1096/fj.14-258293

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

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

Schiebel, Johannes; Radeva, Nedyalka; Park, Ahyoung; Köster, Helene; Craan, Tobias; Krug, Michael; Ühlein, Monika; Weiss, Manfred; Sparta, Karine; Heine, Andreas; Mueller, Uwe; Klebe, Gerhard: X-ray crystallography as gold standard of fragment screening. , 22nd Annual Conference of the German Crystallographic Society Berlin, 17.03.2014 - 20.03.2014 (2014)

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

Karine, Sparta; Uwe, Mueller; Manfred S., Weiss; Udo, Heinemann: XDSAPP for fragment screening experiments. , 6. HZB User Meeting Satellite Workshop “Fragment-Screening by Crystallography” Berlin, 03.12.2014 - 03.12.2014 (2014)

2013

Tan, J.; George, S.; Kusov, Y.; Perbandt, M.; Anemuller, S.; Mesters, J.R.; Norder, H.; Coutard, B.; Lacroix, C.; Leyssen, P.; Neyts, J.; Hilgenfeld, R.: 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. , Journal of Virology 87 (2013), p. 4339-4351
doi:10.1128/JVI.01123-12

Reiter, A.; Skerra, A.; Trauner, D.; Schiefner, A.: A Photoswitchable Neurotransmitter Analogue Bound to Its Receptor. , Biochemistry 52 (2013), p. 8972-8974
doi:10.1021/bi4014402

Andres, D.; Gohlke, U.; Broeker, N.K.; Schulze, S.; Rabsch, W.; Heinemann, U.; Barbirz, S.; Seckler, R.: An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers. , Glycobiology 23 (2013), p. 486-494
doi:10.1093/glycob/cws224

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 425 (2013), p. 1302-1317
doi:10.1016/j.jmb.2012.12.017

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

Gebauer, M.; Schiefner, A.; Matschiner, G.; Skerra, A.: Combinatorial Design of an Anticalin Directed against the Extra-Domain B for the Specific Targeting of Oncofetal Fibronectin. , Journal of Molecular Biology 425 (2013), p. 780-802
doi:10.1016/j.jmb.2012.12.004

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

Kheirabadi, M.; Sharafian, Z.; Naderi-Manesh, H.; Heineman, U.; Gohlke, U.; Hosseinkhani, S.: Crystal structure of native and a mutant of Lampyris turkestanicus luciferase implicate in bioluminescence color shift. , Biochimica et Biophysica Acta - Proteins and Proteomics 1834 (2013), p. 2729 - 2735
doi:10.1016/j.bbapap.2013.09.022

Kim, Y.J.; Hofmann, K.P.; Ernst, O.P.; Scheerer, P.; Choe, H.-W.; Sommer, M.E.: Crystal structure of pre-activated arrestin p44. , Nature 497 (2013), p. 142-146
doi:10.1038/nature12133

Rausch, C.; Lerchner, A.; Schiefner, A.; Skerra, A.: Crystal structure of the omega-aminotransferase from Paracoccus denitrificans and its phylogenetic relationship with other class III amino- transferases that have biotechnological potential. , Proteins - Structure, Function and Bioinformatics 81 (2013), p. 774-787
doi:10.1002/prot.24233

Berntsson, R.P.-A.; Peng, L.; Svensson, L.M.; Dong, M.; Stenmark, P.: Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II. , Structure 21 (2013), p. 1602-1611
doi:10.1016/j.str.2013.06.026

Harijan, R.K.; Kiema, T.R.; Karjalainen, M.P.; Janardan, N.; Murthy, M.R.N.; Weiss, M.S.; Michels, P.A.M.; Wierenga, R.K.: Crystal Structures of SCP2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop. , Biochemical Journal 455 (2013), p. 119-130
doi:10.1042/BJ20130669

Demo, G.; Fliedrova, B.; Weignerova, L.; Wimmerova, M.: Crystallization and preliminary X-ray crystallographic analysis of recombinant β-mannosidase from Aspergillus niger. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 288-291
doi:10.1107/S1744309113002522

Tishchenko, S.; Gabdulkhakov, A.; Tin, U.; Kostareva, O.; Lin, C.; Katanaev, V.L.: Crystallization and preliminary X-ray diffraction studies of Drosophila melanogaster G alpha o-subunit of heterotrimeric G protein in complex with the RGS domain of CG5036. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 61-64
doi:10.1107/S174430911204804X

Lerchner, A.; Jarasch, A.; Meining, W.; Schiefner, A.; Skerra, A.: Crystallographic analysis and structure-guided engineering of NADPH-dependent Ralstonia sp. alcohol dehydrogenase toward NADH cosubstrate specificity. , Biotechnology and Bioengineering 110 (2013), p. 2803-2814
doi:10.1002/bit.24956

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

Griese, J.J.; Roos, K.; Cox, N.; Shafaat, H.S.; Branca, R.M.M.; Lehtiö, J.; Gräslund, A.; Lubitz, W.; Siegbahn, P.E.M.; Högbom, M.: Direct observation of structurally encoded metal discrimination and ether bond formation in a heterodinuclear metalloprotein. , Proceedings of the National Academy of Sciences of the United States of America 110 (2013), p. 17189-17194
doi:10.1073/pnas.1304368110

Ducani, C.; Kaul, C.; Moche, M.; Shih, W.M.; Hogberg, B.: Enzymatic production of 'monoclonal stoichiometric' single-stranded DNA oligonucleotides. , Nature Methods 10 (2013), p. 647-52
doi:10.1038/nmeth.2503

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

Sanchez-Vallet, A.; Saleem-Batcha, R.; Kombrink, A.; Hansen, G.; Valkenburg, D.J.; Thomma, B.P.H.J.; Mesters, J.R.: Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization. , eLife 2 (2013), p. 00790/1-16
doi:10.7554/eLife.00790

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

Kattner, C.; Zaucha, J.; Jaenecke, F.; Zachariae, U.; Tanabe, M.: Identification of a cation transport pathway in Neisseria meningitidis PorB. , Proteins - Structure, Function and Bioinformatics 81 (2013), p. 830 - 840
doi:10.1002/prot.24241

Diestel, U.; Resch, M.; Meinhardt, K.; Weiler, S.; Hellmann, T.V.; Mueller, T.D.; Nickel, J.; Eichler, J.; Muller, Y.A.: Identification of a Novel Tgf-Beta-Binding Site in the Zona Pellucida C-Terminal (Zp-C) Domain of Tgf-β-Receptor-3 (Tgfr-3). , PLoS One 8 (2013), p. 67214/1-12
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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
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Baiocco, P.; Poce, G.; Alfonso, S.; Cocozza, M.; Porretta, G.C.; Colotti, G.; Biava, M.; Moraca, F.; Botta, M.; Yardley, V.; Fiorillo, A.; Lantella, A.; Malatesta, F.; Ilari, A.: Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography. , ChemMedChem 8 (2013), p. 1175-1183
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Mozaffari-Jovin, S.; Wandersleben, T.; Santos, K.F.; Will, C.L.; Luhrmann, R.; Wahl, M.C.: Inhibition of RNA helicase Brr2 by the C-terminal tail of the spliceosomal protein Prp8. , Science 341 (2013), p. 80 - 84
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Biela, I.; Tidten-Luksch, N.; Immekus, F.; Glinca, S.; Nguyen, T.X.P.; Gerber, H.-D.; Heine, A.; Klebe, G.; Reuter, K.: Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. , PLoS One 8 (2013), p. e64240/1-19
doi:10.1371/journal.pone.0064240

Ardini, M.; Fiorillo, A.; Fittipaldi, M.; Stefanini, S.; Gatteschi, D.; Ilari, A.; Chiancone, E.: Kineococcus radiotolerans Dps forms a heteronuclear Mn-Fe ferroxidase center that may explain the Mn-dependent protection against oxidative stress. , Biochimica et Biophysica Acta - General Subjects 1830 (2013), p. 3745-3755
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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
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Faelber, K.; Gao, S.; Held, M.; Posor, Y.; Haucke, V.; Noe, F.; Daumke, O.: Oligomerization of dynamin superfamily proteins in health and disease. , In: Oligomerization in Health and Disease. , 2013 (Progress in Molecular Biology and Translational Science ; 117). - ISBN 978-0-12-386931-9, p. 411-443
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Park, J.H.; Morizumi, T.; Li, Y.; Hong, J.E.; Pai, E.F.; Hofmann, K.P.; Choe, H.W.; Ernst, O.P.: Opsin, a structural model for olfactory receptors? , Angewandte Chemie - International Edition 52 (2013), p. 11021 - 11024
doi:10.1002/anie.201302374

Kmiec, B.; Teixeira, P.F.; Berntsson, R.P-A.; Murcha, M.W.; Branca, R.M.M.; Radomiljac, J.D.; Regberg, J.; Svensson, L.M.; Bakali, A.; Langel, U.; Lehtio, J.; Whelan, J.; Stenmark, P.; Glaser, E.: Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts. , Proceedings of the National Academy of Sciences of the United States of America 110 (2013), p. E3761-E3769
doi:10.1073/pnas.1307637110

Stepankova, A.; Duskova, J.; Skalova, T.; Hasek, J.; Koval', T.; Ostergaard, L.H.; Dohnalek, J.: Organophosphorus acid anhydrolase from Alteromonas macleodii: structural study and functional relationship to prolidases. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 346 - 354
doi:10.1107/S1744309113002674

Lindgren, A.E.; Karlberg, T.; Thorsell, A.G.; Hesse, M.; Spjut, S.; Ekblad, T.; Andersson, C.D.; Pinto, A.F.; Weigelt, J.; Hottiger, M.O.; Linusson, A.; Elofsson, M.; Schuler, H.: PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3. , ACS Chemical Biology 8 (2013), p. 1698-1703
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Koval', T.; Lipovova, P.; Podzimek, T.; Matousek, J.; Duskova, J.; Skalova, T.; Stepankova, A.; Hasek, J.; Dohnalek, J.: Plant multifunctional nuclease TBN1 with unexpected phospholipase activity: structural study and reaction-mechanism analysis. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 213 - 226
doi:10.1107/S0907444912043697

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

Forst, A.H.; Karlberg, T.; Herzog, N.; Thorsell, A.-G.; Gross, A.; Feijs, K.L. H.; Verheugd, P.; Kursula, P.; Nijmeijer, B.; Kremmer, E.; Kleine, H.; Ladurner, A.G.; Schuler, H.; Luescher, B.: Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. , Structure 21 (2013), p. 462-475
doi:10.1016/j.str.2012.12.019

Chon, H.; Sparks, J.L.; Rychlik, M.; Nowotny, M.; Burgers, P.M.; Crouch, R.J.; Cerritelli, S.M.: RNase H2 roles in genome integrity revealed by unlinking its activities. , Nucleic Acids Research 41 (2013), p. 3130 - 3143
doi:10.1093/nar/gkt027

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

Nowak, E.; Potrzebowski, W.; Konarev, P.V.; Rausch, J.W.; Bona, M.K.; Svergun, D.I.; Bujnicki, J.M.; Le Grice, S.F.; Nowotny, M.: Structural analysis of monomeric retroviral reverse transcriptase in complex with an RNA/DNA hybrid. , Nucleic Acids Research 41 (2013), p. 3874 - 3887
doi:10.1093/nar/gkt053

Leiros, H.S.; Flydal, M.I.; Martinez, A.: Structural and Thermodynamic Insight Into Phenylalanine Hydroxylase from the Human Pathogen Legionella Pneumophila. , FEBS Open Bio 3 (2013), p. 370-378
doi:10.1016/j.fob.2013.08.006

Wagner, S.; Stuttmann, J.; Rietz, S.; Guerois, R.; Brunstein, E.; Bautor, J.; Niefind, K.; Parker, J.E.: Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity. , Cell Host & Microbe 14 (2013), p. 619-630
doi:10.1016/j.chom.2013.11.006

Schiefner, A.; Sinz, Q.; Neumaier, I.; Schwab, W.; Skerra, A.: Structural Basis for the Enzymatic Formation of the Key Strawberry Flavor Compound 4-Hydroxy-2,5-dimethyl-3(2H)-furanone. , Journal of Biological Chemistry 288 (2013), p. 16815-16826
doi:10.1074/jbc.M113.453852

Schiebel, J.; Kapilashrami, K.; Fekete, A.; Bommineni, G.R.; Schaefer, C.M.; Mueller, M.J.; Tonge, P.J.; Kisker, C.: Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis. , Journal of Biological Chemistry 288 (2013), p. 34190-34204
doi:10.1074/jbc.M113.511436

Rosnes, I.; Rowe, A.D.; Vik, E.S.; Forstrom, R.J.; Alseth, I.; Bjoras, M.; Dalhus, B.: Structural Basis of DNA Loop Recognition by Endonuclease V. , Structure 21 (2013), p. 257-265
doi:10.1016/j.str.2012.12.007

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

Froehlich, C.; Grabiger, S.; Schwefel, D.; Faelber, K.; Rosenbaum, E.; Mears, J.; Rocks, O.; Daumke, O.: Structural insights into oligomerization and mitochondrial remodelling of dynamin 1-like protein. , The EMBO Journal 32 (2013), p. 1280-1292
doi:10.1038/emboj.2013.74

Schwefel, D.; Arasu, B.S.; Marino, S.F.; Lamprecht, B; Koechert, K.; Rosenbaum, E.; Eichhorst, J.; Wiesner, B.; Behlke, J.; Rocks, O.; Mathas, S.; Daumke, O.: Structural insights into the mechanism of GTPase activation in the GIMAP family. , Structure 21 (2013), p. 550-559
doi:10.1016/j.str.2013.01.014

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 425 (2013), p. 2463 - 2479
doi:10.1016/j.jmb.2013.03.041

Berntsson, R.P.-A.; Peng, L.; Dong, M.; Stenmark, P.: Structure of dual receptor binding to botulinum neurotoxin B. , Nature Communications 4 (2013), p. 2058/1-7
doi:10.1038/ncomms3058

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

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

Angelucci, F.; Saccoccia, F.; Ardini, M.; Boumis, G.; Brunori, M.; Dileandro, L.; Ippoliti, R.; Miele, A.E.; Natoli, G.; Scotti, S.; Bellelli, A.: Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis. , Journal of Molecular Biology 425 (2013), p. 4556-4568
doi:10.1016/j.jmb.2013.09.002

Ussing, C.A.; Hansen, C.P.; Petersen, J.G.; Jensen, A.A.; Rohde, L.A.H.; Ahring, P.K.; Nielsen, E.O.; Kastrup, J.S.; Gajhede, M.; Frolund, B.; Balle, T.: Synthesis, Pharmacology, and Biostructural Characterization of Novel α4β2 Nicotinic Acetylcholine Receptor Agonists. , Journal of Medicinal Chemistry 56 (2013), p. 940-951
doi:10.1021/jm301409f

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

Pastor-Flores, D.; Schulze, J.O.; Bahi, A.; Giacometti, R.; Ferrer-Dalmau, J.; Passeron, S.; Engel, M.; Suess, E.; Casamayor, A.; Biondi, R.M.: The Pif-Pocket as a Target for C. Albicans Pkh Selective Inhibitors. , ACS Chemical Biology 8 (2013), p. 2283-2292
doi:10.1021/cb400452z

Pietrzyk, A.J.; Bujacz, A.; Müller-Dieckmann, J.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Two Crystal Structures of Bombyx mori Lipoprotein 3-Structural Characterization of a New 30-kDa Lipoprotein Family Member. , PLoS One 8 (2013), p. e61303/1-10
doi:10.1371/journal.pone.0061303

2012

Strianese, M.; Palm, G.J.; Milione, S.; Kühl, O.; Hinrichs, W.; Pellecchia, C.: A FRET Enzyme-Based Probe for Monitoring Hydrogen Sulfide. , Inorganic Chemistry 51 (2012), p. 11220-11222
doi:10.1021/ic301363d

Brand, J.; Smith, E.S.; Schwefel, D.; Lapatsina, L.; Poole, K.; Omerbasic, D.; Kozlenkov, A.; Behlke, J.; Lewin, G.R.; Daumke, O.: A stomatin dimer modulates the activity of acid-sensing ion channels. , The EMBO Journal 31 (2012), p. 3635-3646
doi:10.1038/emboj.2012.203

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 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

Riegler, H.; Herter, T.; Grishkovskaya, I.; Lude, A.; Ryngajllo, M.; Bolger, M.E.; Essigmann, B.; Usadel, B.: Crystal structure and functional characterization of a glucosamine-6-phosphate N-acetyltransferase from Arabidopsis thaliana. , Biochemical Journal 443 (2012), p. 427-437
doi:10.1042/BJ20112071

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

Karlberg, T.; Thorsell, A.-G.; Kallas, A.; Schüler, H.: Crystal Structure of Human ADP-ribose Transferase ARTD15/PARP16 Reveals a Novel Putative Regulatory Domain. , Journal of Biological Chemistry 287 (2012), p. 24077-24081
doi:10.1074/jbc.M112.379289

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

Metlitzky, M.; Puehringer, S.; Fisher, S.J.: Crystal structure of PqqB from Pseudomonas putida at 2.2 Å resolution. , Journal of Biophysical Chemistry 3 (2012), p. 206-210
doi:10.4236/jbpc.2012.32023

Chauviac, F.-X.; Bommer, M.; Yan, J.; Parkin, G.; Daviter, T.; Lowden, P.; Raven, E.L.; Thalassinos, K.; Keep, N.H.: Crystal Structure of Reduced Msacg, a Putative Nitroreductase from Mycobacterium Smegmatis and a Close Homologue of Mycobacterium Tuberculosis Acg. , Journal of Biological Chemistry 287 (2012), p. 44372-44383
doi:10.1074/jbc.M112.406264

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

Bulut, H.; Moniot, S.; Licht, A.; Scheffel, F.; Gathmann, S.; Saenger, W.; Schneider, E.: Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria gonorrhoeae. , Journal of Molecular Biology 415 (2012), p. 560
doi:10.1016/j.jmb.2011.11.030

Banaszak, K.; Martin-Diaconescu, V.; Bellucci, M.; Zambelli, B.; Rypniewski, W.; Maroney, M.J.; Ciurli, S.: Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking. , Biochemical Journal 441 (2012), p. 1017-1026
doi:10.1042/BJ20111659

Kofler, S.; Asam, C.; Eckhard, U.; Wallner, M.; Ferreira, F.; Brandstetter, H.: Crystallographically Mapped Ligand Binding Differs in High and Low IgE Binding Isoforms of Birch Pollen Allergen Bet v 1. , Journal of Molecular Biology 422 (2012), p. 109-123
doi:10.1016/j.jmb.2012.05.016

Mueller, Uwe: Data processing with XDSAPP. , 20. Jahrestagung der Deutschen Gesellschaft für Kristallographie DGK München, 12.03.2012 - 15.03.2012 (2012)

Wuttge, S.; Bommer, M.; Jäger, F.; Martins, B.M.; Jacob, S.; Licht, A.; Scheffel, F.; Dobbek, H.; Schneider, E.: Determinants of substrate specificity and biochemical properties of the sn-glycerol-3-phosphate ATP binding cassette transporter (UgpB-AEC2) of Escherichia coli. , Molecular Microbiology 86 (2012), p. 908-920
doi:10.1111/mmi.12025

Andersson, C.D.; Karlberg, T.; Ekblad, T.; Lindgren, A.E.G.; Thorsell, A.-G.; Spjut, S.; Uciechowska, U.; Niemiec, M.S.; Wittung-Stafshede, P.; Weigelt, J.; Elofsson, M.; Schüler, H.; Linusson, A.: Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. , Journal of Medicinal Chemistry 55 (2012), p. 7706-7718
doi:10.1021/jm300746d

Behnen, J.; Köster, H.; Neudert, G.; Craan, T.; Heine, A.; Klebe, G.: Experimental and Computational Active Site Mapping as a Starting Point to Fragment-Based Lead Discovery. , ChemMedChem 7 (2012), p. 248-261
doi:10.1002/cmdc.201100490

Schiefner, A.; Gebauer, M.; Skerra, A.: Extra-domain B in Oncofetal Fibronectin Structurally Promotes Fibrillar Head-to-tail Dimerization of Extracellular Matrix Protein. , Journal of Biological Chemistry 287 (2012), p. 17578-17588
doi:10.1074/jbc.M111.303131

Mueller, Uwe: Facilites for macromolecular crystallography at HZB. , Instrumentation and Methods Development for Synchrotron-based Biomedical Research DESY, Hamburg, 15.05.2012 - 15.05.2012 (2012)

Mueller, Uwe: Facilites for macromolecular crystallography at HZB. , Besuch Canadian Light Source Saskatoon, 05.11.2012 - 06.11.2012 (2012)

Mueller, Uwe: Facilites for macromolecular crystallography at HZB. , Swedish biostructure meeting 2012 Tällberg, Schweden, 15.06.2012 - 18.06.2012 (2012)

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

Weiss, Manfred; Mueller, Uwe: Facilities for Macromolecular Crystallography at the HZB. , 11th International School and Workshop of Crystallography on “Macromolecular Structure of Biological and Non-Biological Materials Hurghada, Egypt, 18.11.2012 - 22.11.2012 (2012)

Weiss, Manfred; Mueller, Uwe: Facilities for Macromolecular Crystallography at the HZB. , International BCO, BioStruct-X, Biocenter Finland Course Oulu, Finland, 30.01.2012 - 03.02.2012 (2012)

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

Weiss, Manfred; Mueller, Uwe: Longer Wavelength Applications at the HZB-MX Beamlines. , Instrumentation and Methods Development for Synchrotron-based Biomedical Research Hamburg, Germany, 14.05.2012 - 16.05.2012 (2012)

Klopffleisch, K.; Issinger, O.-G.; Niefind, K.: Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias. , Acta Crystallographica Section D - Biological Crystallography 68 (2012), p. 883-892
doi:10.1107/S0907444912016587

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 416 (2012), p. 438-452
doi:10.1016/j.jmb.2011.12.057

Morgado, I.; Wieligmann, K.; Bereza, M.; Roenicke, R.; Meinhardt, K.; Annamalai, K.; Baumann, M.; Wacker, J.; Hortschansky, P.; Malesevic, M.; Parthier, C.; Mawrin, C.; Schiene-Fischer, C.; Reymann, K.G.; Stubbs, M.T.; Balbach, J.; Görlach, M.; Horn, U.; Fändrich, M.: Molecular basis of β-amyloid oligomer recognition with a conformational antibody fragment. , Proceedings of the National Academy of Sciences of the United States of America 109 (2012), p. 12503-12508
doi:10.1073/pnas.1206433109

Kirchner, F.; Schuetz, A.; Boldt, L.-H.; Martens, K.; Dittmar, G.; Haverkamp, W.; Thierfelder, L.; Heinemann, U.; Gerull, B.: Molecular Insights into Arrhythmogenic Right Ventricular Cardiomyopathy Caused by Plakophilin-2 Missense Mutations. , Circulation-Cardiovascular Genetics 5 (2012), p. 400-411
doi:10.1161/CIRCGENETICS.111.961854

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

Skalova, T.; Kotynkova, K.; Duskova, J.; Hasek, J.; Koval, T.; Kolenko, P.; Novak, P.; Man, P.; Hanc, P.; Vanek, O.; Bezouska, K.; Dohnalek, J.: Mouse Clr-g, a Ligand for NK Cell Activation Receptor NKR-P1F: Crystal Structure and Biophysical Properties. , Journal of Immunology 189 (2012), p. 4881-4889
doi:10.4049/jimmunol.1200880

Myllykoski, M.; Raasakka, A.; Han, H.; Kursula, P.: Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation. , PLoS One 7 (2012), p. e32336/1-12
doi:10.1371/journal.pone.0032336

Knauer, S.H.; Buckel, W.; Dobbek, H.: On the ATP-Dependent Activation of the Radical Enzyme (R)-2-Hydroxyisocaproyl-CoA Dehydratase. , Biochemistry 51 (2012), p. 6609-6622
doi:10.1021/bi300571z

Schlundt, A.; Günther, S.; Sticht, J.; Wieczorek, M.; Roske, Y.; Heinemann, U.; Freund, C.: Peptide Linkage to the alpha-Subunit of MHCII Creates a Stably Inverted Antigen Presentation Complex. , Journal of Molecular Biology 423 (2012), p. 294-302
doi:10.1016/j.jmb.2012.07.008

Hein, Kim Langmach; Nissen, Poul; Morth, Jens Preben: Purification, crystallization and preliminary crystallographic studies of a PacL homologue from Listeria monocytogenes. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 424-427
doi:10.1107/S1744309112004046

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

Arnold, U.; Schöpfel, M.: Significant stabilization of ribonuclease A by additive effects. , FEBS Journal 279 (2012), p. 2508-2519
doi:10.1111/j.1742-4658.2012.08632.x

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

Hanna, J.; Schuetz, A.; Zimmermann, F.; Behlke, J.; Sommer, T.; Heinemann, U.: Structural and Biochemical Basis of Yos9 Protein Dimerization and Possible Contribution to Self-association of 3-Hydroxy-3-methylglutaryl-Coenzyme A Reductase Degradation Ubiquitin-Ligase Complex. , Journal of Biological Chemistry 287 (2012), p. 8633-8640
doi:10.1074/jbc.M111.317644

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

Santos, K.F.; Jovin, S.M.; Weber, G.; Pena, V.; Luehrmann, R.; Wahl, M.C.: Structural basis for functional cooperation between tandem helicase cassettes in Brr2-mediated remodeling of the spliceosome. , Proceedings of the National Academy of Sciences of the United States of America 109 (2012), p. 17418-17423
doi:10.1073/pnas.1208098109

Maestre-Reyna, M.; Diderrich, R.; Veelders, M.S.; Eulenburg, G.; Kalugin, V.; Brückner, S.; Keller, P.; Rupp, S.; Mosch, H.-U.; Essen, L.-O.: Structural basis for promiscuity and dpecificity during Candida Glabrata invasion of host epithelia. , Proceedings of the National Academy of Sciences of the United States of America 109 (2012), p. 16864-16869
doi:10.1073/pnas.1207653109

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

Thorn, A.; Steinfeld, R.; Ziegenbein, M.; Grapp, M.; Hsiao, H.-H.; Urlaub, H.; Sheldrick, G.M.; Gaertner, J.; Kraetzner, R.: Structure and activity of the only human RNase T2. , Nucleic Acids Research 40 (2012), p. 8733-8742
doi:10.1093/nar/gks614

Hirschbeck, M.W.; Kuper, J.; Lu, H.; Liu, N.; Neckles, C.; Shah, S.; Wagner, S.; Sotriffer, C.A.; Tonge, P.J.; Kisker, C.: Structure of the Yersinia pestis FabV Enoyl-ACP Reductase and Its Interaction with Two 2-Pyridone Inhibitors. , Structure 20 (2012), p. 89-100
doi:10.1016/j.str.2011.07.019

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

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

Gitto, R.; Damiano, F.M.; Mader, P.; De Luca, L.; Ferro, S.; Supuran, C.T.; Vullo, D.; Brynda, J.; Rezacova, P.; Chimirri, A.: Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. , Journal of Medicinal Chemistry 55 (2012), p. 3891-3899
doi:10.1021/jm300112w

Andresen, D.; Roske, Y.; Doering, C.; Heinemann, U.; Seckler, R.; Barbirz, S.: Tail morphology controls DNA release in two Salmonella phages with one lipopolysaccharide receptor recognition system. , Molecular Microbiology 83 (2012), p. 1244-1253
doi:10.1111/j.1365-2958.2012.08006.x

Fiorillo, A.; Colotti, G.; Boffi, A.; Baiocco, P.; Ilari, A.: The Crystal Structures of the Tryparedoxin-Tryparedoxin Peroxidase Couple Unveil the Structural Determinants of Leishmania Detoxification Pathway. , PLoS Neglected Tropical Diseases 6 (2012), p. e1781/1-16
doi:10.1371/journal.pntd.0001781

Mayr, F.; Schütz, A.; Döge, N.; Heinemann, U.: The Lin28 cold-shock domain remodels pre-let-7 microRNA. , Nucleic Acids Research 40 (2012), p. 7492-7506
doi:10.1093/nar/gks355

Andersson, C.S.; Öhrstrom, M.; Popovic-Bijelic, A.; Gräslund, A.; Stenmark, P.; Högbom, M.: The Manganese Ion of the Heterodinuclear Mn/Fe Cofactor in Chlamydia trachomatis Ribonucleotide Reductase R2c Is Located at Metal Position 1. , Journal of the American Chemical Society 134 (2012), p. 123-125
doi:10.1021/ja209678x

Parthier, C.; Görlich, S.; Jaenecke, F.; Breithaupt, C.; Bräuer, U.; Fandrich, U.; Clausnitzer, D.; Wehmeier, U.F.; Böttcher, C.; Scheel, D.; Stubbs, M.T.: The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction. , Angewandte Chemie - International Edition 51 (2012), p. 4046-4052
doi:10.1002/anie.201108896

Krug, M.; Weiss, M.S.; Heinemann, U.; Mueller, U.: XDSAPP: a graphical user interface for the convenient processing of diffraction data using XDS. , Journal of Applied Crystallography 45 (2012), p. 568-572
doi:10.1107/S0021889812011715

2011

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

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

Svensson, L.M.; Jemth, A.-S.; Desroses, M.; Loseva, O.; Helleday, T.; Högbom, M.; Stenmark, P.: Crystal structure of human MTH1 and the 8-oxo-dGMP product complex. , FEBS Letters 585 (2011), p. 2617-2621
doi:10.1016/j.febslet.2011.07.017

Faelber, K.; Posor, Y.; Gao, S.; Held, M.; Roske, Y.; Schulze, D.; Haucke, V.; Noe, F.; Daumke, O.: Crystal structure of nucleotide-free dynamin. , Nature 477 (2011), p. 556-560
doi:10.1038/nature10369

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 406 (2011), p. 92-105
doi:10.1016/j.jmb.2010.11.048

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

Kravchenko, O.V.; Mitroshin, I.V.; Gabdulkhakov, A.G.; Nikonov, S.V.; Garber, M.B.: Crystallization of the two-domain N-terminal fragment of the archaeal ribosomal protein L10(P0) in complex with a specific fragment of 23S rRNA. , Crystallography Reports 56 (2011), p. 702-704
doi:10.1134/S1063774511040109

Saupe, J.; Roske, Y.; Schillinger, C.; Kamdem, N.; Radetzki, S.; Diehl, A.; Oschkinat, H.; Krause, G.; Heinemann, U.; Rademann, J.: Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. , ChemMedChem 6 (2011), p. 1411-1422
doi:10.1002/cmdc.201100094

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

Bischoff, N.; Raaf, J.; Olsen, B.; Bretner, M.; Issinger, O.-G.; Niefind, K.: Enzymatic activity with an incomplete catalytic spine: insights from a comparative structural analysis of human CK2α and its paralogous isoform CK2α'. , Molecular and Cellular Biochemistry 356 (2011), p. 57-65
doi:10.1007/s11010-011-0948-5

Hänzelmann, P.; Buchberger, A.; Schindelin, H.: Hierarchical binding of cofactors to the AAA ATPase p97. , Structure 19 (2011), p. 833-843
doi:10.1016/j.str.2011.03.018

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

Baiocco, P.; Ilari, A.; Ceci, P.; Orsini, S.; Gramiccia, M.; Di Muccio, T.; Colotti, G.: Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania infantum Proliferation. , ACS Medicinal Chemistry Letters 2 (2011), p. 230-233
doi:10.1021/ml1002629

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

Chinthalapudi, K.; Taft, M.H.; Martin, R.; Heissler, S.M.; Preller, M.; Hartmann, F.K.; Brandstaetter, H.; Kendrick-Jones, J.; Tsiavaliaris, G.; Gutzeit, H.O.; Fedorov, R.; Buss, F.; Knoelker, H.J.; Coluccio, L.M.; Manstein, D.J.: Mechanism and Specificity of Pentachloropseudilin-Mediated Inhibition of Myosin Motor Activity. , Journal of Biological Chemistry 286 (2011), p. 29700-29708
doi:10.1074/jbc.M111.239210

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 108 (2011), p. 20514-20519
doi:10.1073/pnas.1111456108

Patel, A.K.; Singh, V.K.; Bergmann, U.; Jagannadham, M.V.; Kursula, P.: Purification, crystallization and preliminary X-ray crystallographic analysis of MIL, a glycosylated jacalin-related lectin from mulberry (Morus indica) latex. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 608-612
doi:10.1107/S174430911101013X

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

Tishchenko, S.; Nikonova, E.; Kostareva, O.; Gabdulkhakov, A.; Piendl, W.; Nevskaya, N.; Garber, M.; Nikonov, S.: Structural analysis of interdomain mobility in ribosomal L1 proteins. , Acta Crystallographica Section D - Biological Crystallography 67 (2011), p. 1023-1027
doi:10.1107/S0907444911043435

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

Hansen, G.; Heitmann, A.; Witt, T.; Li, H.; Jiang, H.; Shen, X.; Heussler, V.T.; Rennenberg, A.; Hilgenfeld, R.: Structural Basis for the Regulation of Cysteine-Protease Activity by a New Class of Protease Inhibitors in Plasmodium. , Structure 19 (2011), p. 919-929
doi:10.1016/j.str.2011.03.025

Zocher, G.; Richter, M.E.A.; Mueller, U.; Hertweck, C.: Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase. , Journal of the American Chemical Society 133 (2011), p. 2292 - 2302
doi:10.1021/ja110146z

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

Bischoff, N.; Olsen, B.; Raaf, J.; Bretner, M.; Issinger, O.-G.; Niefind, K.: Structure of the Human Protein Kinase CK2 Catalytic Subunit CK2α' and Interaction Thermodynamics with the Regulatory Subunit CK2β. , Journal of Molecular Biology 407 (2011), p. 1-12
doi:10.1016/j.jmb.2011.01.020

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

Fritsch, J.; Scheerer, P.; Frielingsdorf, S.; Kroschinsky, S.; Friedrich, B.; Lenz, O.; Spahn, C.M.T.: The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre. , Nature 479 (2011), p. 249-252
doi:10.1038/nature10505

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 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 108 (2011), p. 10490-10495
doi:10.1073/pnas.1101084108

Hansen, G.; Schwarzloh, B.; Rennenberg, A.; Heussler, V.T.; Hilgenfeld, R.: The macromolecular complex of ICP and falcipain-2 from Plasmodium: preparation, crystallization and preliminary X-ray diffraction analysis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 1406-1410
doi:10.1107/S1744309111034592

Hänzelmann, P.; Schindelin, H.: The structural and functional basis of the p97/valosin containing Protein (VCP)-interacting Motif (VIM): Mutually exclusive binding of cofactors to the N-terminal domain of p97. , Journal of Biological Chemistry 286 (2011), p. 38679-38690
doi:10.1074/jbc.M111.274506

Fiorillo, A.; Federico, R.; Polticelli, F.; Boffi, A.; Mazzei, F.; Di Fusco, M.; Ilari, A.; Tavladoraki, P.: The structure of maize polyamine oxidase K300M mutant in complex with the natural substrates provides a snapshot of the catalytic mechanism of polyamine oxidation. , FEBS Journal 278 (2011), p. 809-821
doi:10.1111/j.1742-4658.2010.08000.x

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

Ilari, A.; Alaleona, F.; Petrarca, P.; Battistoni, A.; Chiancone, E.: The X-ray Structure of the Zinc Transporter ZnuA from Salmonella enterica Discloses a Unique Triad of Zinc-Coordinating Histidines. , Journal of Molecular Biology 409 (2011), p. 630-641
doi:10.1016/j.jmb.2011.04.036

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

Montemiglio, L.C.; Gianni, S.; Vallone, B.; Savino, C.: Azole Drugs Trap Cytochrome P450 EryK in Alternative Conformational States. , Biochemistry 49 (2010), p. 9199-9206
doi:10.1021/bi101062v

Günther, S.; Schlundt, A.; Sticht, J.; Roske, Y.; Heinemann, U.; Wiesmüller, K.H.; Jung, G.; Falk, K.; Rötzschke, O.; Freund, C.: Bidirectional binding of invariant chain peptides to an MHC class II molecule. , Proceedings of the National Academy of Sciences of the United States of America 107 (2010), p. 22219-22224
doi:10.1073/pnas.1014708107

Lakomek, K.; Dickmanns, A.; Ciirdaeva, E.; Schomacher, L.; Ficner, R.: Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA. , Journal of Molecular Biology 399 (2010), p. 604-617
doi:10.1016/j.jmb.2010.04.044

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

Böhm, K.; Herter, T.; Müller, J.J.; Borriss, R.; Heinemann, U.: Crystal structure of Klebsiella Sp. ASR 1 phytase suggests substrate binding to a preformed active site that meets the requirements of a plant rhizosphere enzyme. , FEBS Journal 277 (2010), p. 1284 - 1296
doi:10.1111/j.1742-4658.2010.07559.x

Massad, T.; Skaar, K.; Nilsson, H.; Damberg, P.; Henriksson-Peltola, P.; Haggard-Ljungquist, E.; Högbom, M.; Stenmark, P.: Crystal structure of the P2 C-repressor: a binder of non-palindromic direct DNA repeats. , Nucleic Acids Research 38 (2010), p. 7778-7790
doi:10.1093/nar/gkq626

Wisniewska, M.; Karlberg, T.; Lehtiö, L.; Johansson, I.; Kotenyova, T.; Moche, M.; Schüler, H.: Crystal Structures of the ATPase Domains of Four Human Hsp70 Isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78. , PLoS One 5 (2010), p. e8625/1-8
doi:10.1371/journal.pone.0008625

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 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

Jakob, R.P.; Zierer, B.K.; Weininger, U.; Hofmann, S.D.; Lorenz, S.H.; Balbach, J.; Dobbek, H.; Schmid, F.X.: Elimination of a cis-Proline-Containing Loop and Turn Optimization Stabilizes a Protein and Accelerates its Folding. , Journal of Molecular Biology 399 (2010), p. 331 - 346
doi:10.1016/j.jmb.2010.04.007

Ozga, M.; Dolot, R.; Janicka, M.; Kaczmarek, R.; Krakowiak, A.: Histidine Triad Nucleotide-binding Protein 1 (HINT-1) Phosphoramidase Transforms Nucleoside 5'-O-Phosphorothioates to Nucleoside 5'-O-Phosphates. , Journal of Biological Chemistry 285 (2010), p. 40809-40818
doi:10.1074/jbc.M110.162065

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 107 (2010), p. 8213-8218
doi:10.1073/pnas.1003478107

Sevvana, M.; Kassler, K.; Ahnström, J.; Weiler, S.; Dahlbäck, B.; Sticht, H.; Muller, Y.A.: Mouse Apom Displays an Unprecedented Seven-Stranded Lipocalin Fold: Folding Decoy or Alternative Native Fold? , Journal of Molecular Biology 404 (2010), p. 363-371
doi:10.1016/j.jmb.2010.09.062

Baum, B.; Muley, L.; Smolinski, M.; Heine, A.; Hangauer, D.; Klebe, G.: Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. , Journal of Molecular Biology 397 (2010), p. 1042 - 1054
doi:10.1016/j.jmb.2010.02.007

Schulz, E.C.; Schwarzer, D.; Frank, M.; Stummeyer, K.; Mühlenhoff, M.; Dickmanns, A.; Gerardy-Schahn, R.; Ficner, R.: Structural basis for the recognition and cleavage of polysialic acid by the bacteriophage K1F tailspike protein EndoNF. , Journal of Molecular Biology 397 (2010), p. 341-351
doi:10.1016/j.jmb.2010.01.028

Schwefel, D.; Fröhlich, C.; Eichhorst, J.; Wiesner, B.; Behlke, J.; Aravind, L.; Daumke, O.: Structural basis of oligomerization in septin-like GTPase of immunity-associated protein 2 (GIMAP2). , Proceedings of the National Academy of Sciences of the United States of America 107 (2010), p. 20299-20304
doi:10.1073/pnas.1010322107

Gao, S.; von der Malsburg, A.; Paeschke, S.; Behlke, J.; Haller, O.; Kochs, G.; Daumke, O.: Structural basis of oligomerization in the stalk region of dynamin-like MxA. , Nature 465 (2010), p. 502-506
doi:10.1038/nature08972

Siponen, M.I.; Wisniewska, M.; Lehtio, L.; Johansson, I.; Svensson, L.; Raszewski, G.; Nilsson, L.; Sigvardsson, M.; Berglund, H.: Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif. , Journal of Biological Chemistry 285 (2010), p. 25875-25879
doi:10.1074/jbc.C110.150482

Welin, M.; Grossmann, J.G.; Flodin, S.; Nyman, T.; Stenmark, P.; Tresaugues, L.; Kotenyova, T.; Johansson, I.; Nordlund, P.; Lehtio, L.: Structural studies of tri-functional human GART. , Nucleic Acids Research 38 (2010), p. 7308-7319
doi:10.1093/nar/gkq595

Hee, C.S.; Gao, S.; Loll, B.; Miller, M.M.; Uchanska-Ziegler, B.; Daumke, O.; Ziegler, A.: Structure of a Classical MHC Class I Molecule That Binds "Non-Classical" Ligands. , PLoS Biology 8 (2010), p. e1000557/1-12
doi:10.1371/journal.pbio.1000557

Heinemann, I.U.; Schulz, C.; Schubert, W.D.; Heinz, D.W.; Wang, Y.G.; Kobayashi, Y.; Awa, Y.; Wachi, M.; Jahn, D.; Jahn, M.: Structure of the Heme Biosynthetic Pseudomonas Aeruginosa Porphobilinogen Synthase in Complex with the Antibiotic Alaremycin. , Antimicrobial Agents and Chemotherapy 54 (2010), p. 267-272
doi:10.1128/AAC.00553-09

Raeder, I.L.U.; Moe, E.; Willassen, N.P.; Smalas, A.O.; Leiros, I.: Structure of uracil-DNA N-glycosylase (UNG) from Vibrio cholerae: mapping temperature adaptation through structural and mutational analysis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 130-136
doi:10.1107/S1744309109052063

Arent, S.; Pye, V.E.; Christen, C.E.; Norgaard, A.; Henriksen, A.: The Multi-Functional Protein in Peroxisomal β-Oxidation : Structure and Substrate Specificity of the Arabidopsis Thaliana Protein MFP2. , Journal of Biological Chemistry 285 (2010), p. 24066 - 24077
doi:10.1074/jbc.M110.106005

Moskaleva, O.; Melnik, B.; Gabdulkhakov, A.; Garber, M.; Nikonov, S.; Stolboushkina, E.; Nikulin, A.: The structures of mutant forms of Hfq from Pseudomonas aeruginosa reveal the importance of the conserved His57 for the protein hexamer organization. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 760-764
doi:10.1107/S1744309110017331

Hänzelmann, P.; Stingele, J.; Hofmann, K.; Schindelin, H.; Raasi, S.: The Yeast E4 Ubiquitin Ligase Ufd2 Interacts with the Ubiquitin-like Domains of Rad23 and Dsk2 via a Novel and Distinct Ubiquitin-like Binding Domain. , Journal of Biological Chemistry 285 (2010), p. 20390-20398
doi:10.1074/jbc.M110.112532

Kyomuhendo, P.; Myrnes, B.; Brandsdal, B.-O.; Smalas, A.O.; Nilsen, I.W.; Helland, R.: Thermodynamics and structure of a salmon cold active goose-type lysozyme. , Comparative Biochemistry and Physiology B 156 (2010), p. 254 - 263
doi:10.1016/j.cbpb.2010.04.002

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

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

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

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

Vivoli, M.; Angelucci, F.; Ilari, A.; Morea, V.; Angelaccio, S.; di Salvo, M.L.; Contestabile, R.: Role of a Conserved Active Site Cation-Π Interaction in Escherichia coli Serine Hydroxymethyltransferase. , Biochemistry 48 (2009), p. 12034-12046
doi:10.1021/bi901568b

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

Sun, Q.; Collins, R.; Huang, S.; Holmberg-Schiavone, L.; Anand, G.S.; Tan, C.-H.; van-den-Berg, S.; Deng, L.-W.; Moore, P.K.; Karlberg, T.; Sivaraman, J.: Structural Basis for the Inhibition Mechanism of Human Cystathionine γ-Lyase, an Enzyme Responsible for the Production of H2S. , Journal of Biological Chemistry 284 (2009), p. 3076-3085
doi:10.1074/jbc.M805459200

MX 14.1