3NMK
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![BU of 3nmk by Molmil](/molmil-images/mine/3nmk) | Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | Descriptor: | N-1,10-phenanthrolin-5-ylacetamide, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ... | Authors: | Radford, R.J, Tezcan, F.A. | Deposit date: | 2010-06-22 | Release date: | 2010-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites. Chem.Commun.(Camb.), 47, 2011
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4OKA
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![BU of 4oka by Molmil](/molmil-images/mine/4oka) | Structural-, Kinetic- and Docking Studies of Artificial Imine Reductases Based on the Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis | Descriptor: | IRIDIUM ION, Streptavidin, [N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III) | Authors: | Schirmer, T, Heinisch, T. | Deposit date: | 2014-01-22 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.505 Å) | Cite: | Structural, Kinetic, and Docking Studies of Artificial Imine Reductases Based on Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis J.Am.Chem.Soc., 136, 2014
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1RAX
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3NMJ
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![BU of 3nmj by Molmil](/molmil-images/mine/3nmj) | Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | Descriptor: | N-1,10-phenanthrolin-5-ylacetamide, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Radford, R.J, Tezcan, F.A. | Deposit date: | 2010-06-22 | Release date: | 2010-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites. Chem.Commun.(Camb.), 47, 2011
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3NMI
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![BU of 3nmi by Molmil](/molmil-images/mine/3nmi) | Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | Descriptor: | ACETATE ION, N-1,10-phenanthrolin-5-ylacetamide, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Radford, R.J, Tezcan, F.A. | Deposit date: | 2010-06-22 | Release date: | 2010-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites. Chem.Commun.(Camb.), 47, 2011
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2M4Q
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![BU of 2m4q by Molmil](/molmil-images/mine/2m4q) | NMR structure of E. coli ribosomela decoding site with apramycin | Descriptor: | APRAMYCIN, RNA (27-MER) | Authors: | Puglisi, J.D, Tsai, A, Marshall, R, Viani, E. | Deposit date: | 2013-02-10 | Release date: | 2013-03-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The impact of aminoglycosides on the dynamics of translation elongation. Cell Rep, 3, 2013
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3R4B
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![BU of 3r4b by Molmil](/molmil-images/mine/3r4b) | Crystal Structure of Wild-type HIV-1 Protease in Complex With TMC310911 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate, HIV-1 protease, PHOSPHATE ION | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2011-03-17 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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1LAX
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![BU of 1lax by Molmil](/molmil-images/mine/1lax) | CRYSTAL STRUCTURE OF MALE31, A DEFECTIVE FOLDING MUTANT OF MALTOSE-BINDING PROTEIN | Descriptor: | MALTOSE-BINDING PROTEIN MUTANT MALE31, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Saul, F.A, Mourez, M, Vulliez-le Normand, B, Sassoon, N, Bentley, G.A, Betton, J.M. | Deposit date: | 2002-03-29 | Release date: | 2003-03-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of a defective folding protein PROTEIN SCI., 12, 2003
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2N8L
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![BU of 2n8l by Molmil](/molmil-images/mine/2n8l) | |
2N8M
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![BU of 2n8m by Molmil](/molmil-images/mine/2n8m) | |
8UJY
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![BU of 8ujy by Molmil](/molmil-images/mine/8ujy) | Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8) | Descriptor: | (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5 | Authors: | Zhao, B, Amporndanai, K, Fesik, S.W. | Deposit date: | 2023-10-11 | Release date: | 2023-12-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors. J.Med.Chem., 66, 2023
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2Q1M
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2BQW
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![BU of 2bqw by Molmil](/molmil-images/mine/2bqw) | CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45 | Descriptor: | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | Deposit date: | 2005-04-28 | Release date: | 2006-04-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BOH
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![BU of 2boh by Molmil](/molmil-images/mine/2boh) | Crystal structure of factor Xa in complex with compound "1" | Descriptor: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | Deposit date: | 2005-04-11 | Release date: | 2006-04-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BQ7
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![BU of 2bq7 by Molmil](/molmil-images/mine/2bq7) | Crystal structure of factor Xa in complex with 43 | Descriptor: | CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ... | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | Deposit date: | 2005-04-27 | Release date: | 2006-04-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BQ6
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![BU of 2bq6 by Molmil](/molmil-images/mine/2bq6) | Crystal structure of factor Xa in complex with 21 | Descriptor: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | Deposit date: | 2005-04-27 | Release date: | 2006-04-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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3K51
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![BU of 3k51 by Molmil](/molmil-images/mine/3k51) | Crystal Structure of DcR3-TL1A complex | Descriptor: | Decoy receptor 3, Tumor necrosis factor ligand superfamily member 15, secreted form | Authors: | Zhan, C, Patskovsky, Y, Yan, Q, Li, Z, Ramagopal, U.A, Nathenson, S.G, Almo, S.C. | Deposit date: | 2009-10-06 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Decoy Strategies: The Structure of TL1A:DcR3 Complex. Structure, 19, 2011
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3KO0
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![BU of 3ko0 by Molmil](/molmil-images/mine/3ko0) | Structure of the tfp-ca2+-bound activated form of the s100a4 Metastasis factor | Descriptor: | 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, Protein S100-A4 | Authors: | Malashkevich, V.N, Dulyaninova, N.G, Knight, D, Almo, S.C, Bresnick, A.R. | Deposit date: | 2009-11-12 | Release date: | 2010-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Phenothiazines inhibit S100A4 function by inducing protein oligomerization. Proc.Natl.Acad.Sci.USA, 107, 2010
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3KPE
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![BU of 3kpe by Molmil](/molmil-images/mine/3kpe) | Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV | Descriptor: | 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL | Authors: | Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K. | Deposit date: | 2009-11-16 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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2Z9Q
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![BU of 2z9q by Molmil](/molmil-images/mine/2z9q) | |
1O9W
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![BU of 1o9w by Molmil](/molmil-images/mine/1o9w) | F17-aG lectin domain from Escherichia coli in complex with N-acetyl-glucosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17A-G FIMBRIAL ADHESIN | Authors: | Buts, L, De Genst, E, Loris, R, Oscarson, S, Lahmann, M, Messens, J, Brosens, E, Wyns, L, Bouckaert, J, De Greve, H. | Deposit date: | 2002-12-20 | Release date: | 2003-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Fimbrial Adhesin F17-G of Enterotoxigenic Escherichia Coli Has an Immunoglobulin-Like Lectin Domain that Binds N-Acetylglucosamine Mol.Microbiol., 49, 2003
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1O9Z
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![BU of 1o9z by Molmil](/molmil-images/mine/1o9z) | F17-aG lectin domain from Escherichia coli (ligand free) | Descriptor: | F17-AG LECTIN DOMAIN | Authors: | Buts, L, De Genst, E, Loris, R, Oscarson, S, Lahmann, M, Messens, J, Brosens, E, Wyns, L, Bouckaert, J, De Greve, H. | Deposit date: | 2002-12-23 | Release date: | 2003-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Fimbrial Adhesin F17-G of Enterotoxigenic Escherichia Coli Has an Immunoglobulin-Like Lectin Domain that Binds N-Acetylglucosamine Mol.Microbiol., 49, 2003
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1O9V
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![BU of 1o9v by Molmil](/molmil-images/mine/1o9v) | F17-aG lectin domain from Escherichia coli in complex with a selenium carbohydrate derivative | Descriptor: | F17-AG LECTIN DOMAIN, methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside | Authors: | Buts, L, De Genst, E, Loris, R, Oscarson, S, Lahmann, M, Messens, J, Brosens, E, Wyns, L, Bouckaert, J, De Greve, H. | Deposit date: | 2002-12-20 | Release date: | 2003-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Fimbrial Adhesin F17-G of Enterotoxigenic Escherichia Coli Has an Immunoglobulin-Like Lectin Domain that Binds N-Acetylglucosamine Mol.Microbiol., 49, 2003
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1NCL
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![BU of 1ncl by Molmil](/molmil-images/mine/1ncl) | |
1NPU
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![BU of 1npu by Molmil](/molmil-images/mine/1npu) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF MURINE PD-1 | Descriptor: | Programmed cell death protein 1 | Authors: | Zhang, X, Schwartz, J.-C.D, Guo, X, Cao, E, Chen, L, Zhang, Z.-Y, Nathenson, S.G, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-01-20 | Release date: | 2004-03-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional analysis of the costimulatory receptor programmed death-1. Immunity, 20, 2004
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