4NC0
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![BU of 4nc0 by Molmil](/molmil-images/mine/4nc0) | Crystal Structure of TcdA-A2 Bound to A26.8 VHH | Descriptor: | A26.8 VHH, Cell wall-binding repeat protein | Authors: | Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S. | Deposit date: | 2013-10-23 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile. J.Biol.Chem., 289, 2014
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1O5E
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![BU of 1o5e by Molmil](/molmil-images/mine/1o5e) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, Serine protease hepsin | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
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4NMA
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4NME
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![BU of 4nme by Molmil](/molmil-images/mine/4nme) | |
4NMF
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![BU of 4nmf by Molmil](/molmil-images/mine/4nmf) | Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA inactivated by N-propargylglycine and complexed with menadione bisulfite | Descriptor: | (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid, (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid, 1,2-ETHANEDIOL, ... | Authors: | Singh, H, Tanner, J.J. | Deposit date: | 2013-11-14 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site. Proc.Natl.Acad.Sci.USA, 111, 2014
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4NC2
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![BU of 4nc2 by Molmil](/molmil-images/mine/4nc2) | Crystal structure of TcdB-B1 bound to B39 VHH | Descriptor: | B39 VHH, Toxin B | Authors: | Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S. | Deposit date: | 2013-10-23 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile. J.Biol.Chem., 289, 2014
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2A3P
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![BU of 2a3p by Molmil](/molmil-images/mine/2a3p) | Structure of Desulfovibrio desulfuricans G20 tetraheme cytochrome with bound molybdate | Descriptor: | COG3005: Nitrate/TMAO reductases, membrane-bound tetraheme cytochrome c subunit, HEME C, ... | Authors: | Pattarkine, M.V, Lee, Y.-H, Tanner, J.J, Wall, J.D. | Deposit date: | 2005-06-25 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Desulfovibrio desulfuricans G20 Tetraheme Cytochrome Structure at 1.5A and Cytochrome Interaction with Metal Complexes J.Mol.Biol., 358, 2006
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2A3M
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![BU of 2a3m by Molmil](/molmil-images/mine/2a3m) | Structure of Desulfovibrio desulfuricans G20 tetraheme cytochrome (oxidized form) | Descriptor: | COG3005: Nitrate/TMAO reductases, membrane-bound tetraheme cytochrome c subunit, HEME C | Authors: | Pattarkine, M.V, Tanner, J.J, Bottoms, C.A, Lee, Y.H, Wall, J.D. | Deposit date: | 2005-06-25 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Desulfovibrio desulfuricans G20 Tetraheme Cytochrome Structure at 1.5A and Cytochrome Interaction with Metal Complexes J.Mol.Biol., 358, 2006
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3QPI
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![BU of 3qpi by Molmil](/molmil-images/mine/3qpi) | Crystal Structure of Dimeric Chlorite Dismutases from Nitrobacter winogradskyi | Descriptor: | Chlorite Dismutase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mlynek, G, Sjoeblom, B, Kostan, J, Fuereder, S, Maixner, F, Furtmueller, P.G, Obinger, O, Wagner, M, Daims, H, Djinovic-Carugo, K. | Deposit date: | 2011-02-13 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unexpected diversity of chlorite dismutases: a catalytically efficient dimeric enzyme from Nitrobacter winogradskyi. J.Bacteriol., 193, 2011
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2JWW
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2G82
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6HYK
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![BU of 6hyk by Molmil](/molmil-images/mine/6hyk) | NMR solution structure of the C/D box snoRNA U14 | Descriptor: | RNA (31-MER) | Authors: | Chagot, M.E, Quinternet, M, Rothe, B, Charpentier, B, Coutant, J, Manival, X, Lebars, I. | Deposit date: | 2018-10-22 | Release date: | 2019-04-24 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The yeast C/D box snoRNA U14 adopts a "weak" K-turn like conformation recognized by the Snu13 core protein in solution. Biochimie, 164, 2019
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1J3I
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![BU of 1j3i by Molmil](/molmil-images/mine/1j3i) | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | Deposit date: | 2003-02-03 | Release date: | 2003-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures. NAT.STRUCT.BIOL., 10, 2003
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1J3K
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![BU of 1j3k by Molmil](/molmil-images/mine/1j3k) | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | Deposit date: | 2003-02-03 | Release date: | 2003-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures. NAT.STRUCT.BIOL., 10, 2003
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1J3J
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![BU of 1j3j by Molmil](/molmil-images/mine/1j3j) | Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | Deposit date: | 2003-02-03 | Release date: | 2003-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures. NAT.STRUCT.BIOL., 10, 2003
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1NYH
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![BU of 1nyh by Molmil](/molmil-images/mine/1nyh) | Crystal Structure of the Coiled-coil Dimerization Motif of Sir4 | Descriptor: | Regulatory protein SIR4 | Authors: | Chang, J.F, Hall, B.E, Tanny, J.C, Moazed, D, Filman, D, Ellenberger, T. | Deposit date: | 2003-02-12 | Release date: | 2003-06-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the Coiled-coil Dimerization Motif of Sir4 and Its Interaction With Sir3 Structure, 11, 2003
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2RU8
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![BU of 2ru8 by Molmil](/molmil-images/mine/2ru8) | DnaT C-terminal domain | Descriptor: | Primosomal protein 1 | Authors: | Abe, Y, Tani, J, Fujiyama, S, Urabe, M, Sato, K, Aramaki, T, Katayama, T, Ueda, T. | Deposit date: | 2014-01-29 | Release date: | 2014-10-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and mechanism of the primosome protein DnaT-functional structures for homotrimerization, dissociation of ssDNA from the PriB·ssDNA complex, and formation of the DnaT·ssDNA complex. Febs J., 281, 2014
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2HYY
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![BU of 2hyy by Molmil](/molmil-images/mine/2hyy) | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | Deposit date: | 2006-08-08 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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1OIO
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![BU of 1oio by Molmil](/molmil-images/mine/1oio) | GafD (F17c-type) Fimbrial adhesin from Escherichia coli | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FIMBRIAL LECTIN | Authors: | Merckel, M.C, Tanskanen, J, Edelman, S, Westerlund-Wikstrom, B, Korhonen, T.K, Goldman, A. | Deposit date: | 2003-06-22 | Release date: | 2003-08-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis of Receptor-Binding by Escherichia Coli Associated with Diarrhea and Septicemia J.Mol.Biol., 331, 2003
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5D1V
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![BU of 5d1v by Molmil](/molmil-images/mine/5d1v) | |
4DSG
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![BU of 4dsg by Molmil](/molmil-images/mine/4dsg) | Crystal Structure of oxidized UDP-Galactopyranose mutase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ... | Authors: | Singh, H, Dhatwalia, R, Tanner, J.J. | Deposit date: | 2012-02-18 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation. Biochemistry, 51, 2012
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1L4Z
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![BU of 1l4z by Molmil](/molmil-images/mine/1l4z) | X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF MICROPLASMINOGEN WITH ALPHA DOMAIN OF STREPTOKINASE IN THE PRESENCE CADMIUM IONS | Descriptor: | CADMIUM ION, Plasminogen, Streptokinase | Authors: | Wakeham, N, Terzyan, S, Zhai, P, Loy, J.A, Tang, J, Zhang, X.C. | Deposit date: | 2002-03-06 | Release date: | 2002-12-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Effects of deletion of streptokinase residues 48-59 on plasminogen activation. PROTEIN ENG., 15, 2002
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2VKM
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![BU of 2vkm by Molmil](/molmil-images/mine/2vkm) | Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Hong, L, Tang, J, Ghosh, A.K. | Deposit date: | 2007-12-04 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation. Bioorg.Med.Chem.Lett., 18, 2008
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1YWN
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![BU of 1ywn by Molmil](/molmil-images/mine/1ywn) | Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | Descriptor: | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2 | Authors: | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | Deposit date: | 2005-02-18 | Release date: | 2005-08-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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5DYS
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![BU of 5dys by Molmil](/molmil-images/mine/5dys) | Crystal Structure of T94I rhodopsin mutant | Descriptor: | ACETATE ION, PALMITIC ACID, RETINAL, ... | Authors: | Singhal, A, Guo, Y, Matkovic, M, Schertler, G, Deupi, X, Yan, E, Standfuss, J. | Deposit date: | 2015-09-25 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural role of the T94I rhodopsin mutation in congenital stationary night blindness. Embo Rep., 17, 2016
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