2JC1
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![BU of 2jc1 by Molmil](/molmil-images/mine/2jc1) | CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223 | Descriptor: | (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE | Authors: | Wonacott, A, Skarzynski, T, Singh, O.M. | Deposit date: | 2006-12-18 | Release date: | 2007-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate. J.Med.Chem., 50, 2007
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2JC0
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![BU of 2jc0 by Molmil](/molmil-images/mine/2jc0) | CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB655264 | Descriptor: | (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE | Authors: | Wonacott, A, Skarzynski, T, Singh, O.M. | Deposit date: | 2006-12-18 | Release date: | 2007-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate. J.Med.Chem., 50, 2007
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1PMI
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![BU of 1pmi by Molmil](/molmil-images/mine/1pmi) | Candida Albicans Phosphomannose Isomerase | Descriptor: | PHOSPHOMANNOSE ISOMERASE, ZINC ION | Authors: | Cleasby, A, Skarzynski, T, Wonacott, A, Davies, G.J, Hubbard, R.E, Proudfoot, A.E.I, Wells, T.N.C, Payton, M.A, Bernard, A.R. | Deposit date: | 1996-04-03 | Release date: | 1997-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution. Nat.Struct.Biol., 3, 1996
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1QHR
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![BU of 1qhr by Molmil](/molmil-images/mine/1qhr) | NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS | Descriptor: | 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE, ALPHA THROMBIN, HIRUGEN | Authors: | Jhoti, H, Cleasby, A, Reid, S, Thomas, P, Wonacott, A. | Deposit date: | 1999-05-26 | Release date: | 2000-05-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template. Biochemistry, 38, 1999
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1HTE
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![BU of 1hte by Molmil](/molmil-images/mine/1hte) | X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE | Descriptor: | (2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, HIV-1 PROTEASE | Authors: | Jhoti, H, Wonacott, A, Murray-Rust, P. | Deposit date: | 1994-04-29 | Release date: | 1994-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease. Biochemistry, 33, 1994
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1HTF
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![BU of 1htf by Molmil](/molmil-images/mine/1htf) | |
1HTG
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![BU of 1htg by Molmil](/molmil-images/mine/1htg) | |
1BCU
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![BU of 1bcu by Molmil](/molmil-images/mine/1bcu) | ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND PROFLAVIN | Descriptor: | ALPHA-THROMBIN, HIRUGEN, PROFLAVIN | Authors: | Conti, E, Rivetti, C, Wonacott, A, Brick, P. | Deposit date: | 1998-05-02 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray and spectrophotometric studies of the binding of proflavin to the S1 specificity pocket of human alpha-thrombin. FEBS Lett., 425, 1998
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1BRU
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![BU of 1bru by Molmil](/molmil-images/mine/1bru) | |
1DUH
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![BU of 1duh by Molmil](/molmil-images/mine/1duh) | CRYSTAL STRUCTURE OF THE CONSERVED DOMAIN IV OF E. COLI 4.5S RNA | Descriptor: | 4.5S RNA DOMAIN IV, LUTETIUM (III) ION, MAGNESIUM ION, ... | Authors: | Jovine, L, Hainzl, T, Oubridge, C, Scott, W.G, Li, J, Sixma, T.K, Wonacott, A, Skarzynski, T, Nagai, K. | Deposit date: | 2000-01-17 | Release date: | 2000-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the ffh and EF-G binding sites in the conserved domain IV of Escherichia coli 4.5S RNA. Structure Fold.Des., 8, 2000
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2FVC
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![BU of 2fvc by Molmil](/molmil-images/mine/2fvc) | Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone | Descriptor: | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one, polyprotein | Authors: | Concha, N.O, Wonacott, A, Singh, O. | Deposit date: | 2006-01-30 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase. J.Med.Chem., 49, 2006
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1UAE
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![BU of 1uae by Molmil](/molmil-images/mine/1uae) | STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE | Descriptor: | UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | Authors: | Skarzynski, T. | Deposit date: | 1996-09-30 | Release date: | 1997-09-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of UDP-N-acetylglucosamine enolpyruvyl transferase, an enzyme essential for the synthesis of bacterial peptidoglycan, complexed with substrate UDP-N-acetylglucosamine and the drug fosfomycin. Structure, 4, 1996
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1AWF
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![BU of 1awf by Molmil](/molmil-images/mine/1awf) | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | Descriptor: | ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | Deposit date: | 1997-10-02 | Release date: | 1998-10-28 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies. Biochemistry, 37, 1998
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1AWH
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![BU of 1awh by Molmil](/molmil-images/mine/1awh) | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | Descriptor: | 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID, ALPHA THROMBIN | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | Deposit date: | 1997-10-02 | Release date: | 1998-10-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies. Biochemistry, 37, 1998
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1QJ6
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![BU of 1qj6 by Molmil](/molmil-images/mine/1qj6) | Novel Covalent Active Site Thrombin Inhibitors | Descriptor: | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN | Authors: | Jhoti, H, Cleasby, A. | Deposit date: | 1999-06-22 | Release date: | 2000-06-22 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template Biochemistry, 38, 1999
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1QJ7
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![BU of 1qj7 by Molmil](/molmil-images/mine/1qj7) | Novel Covalent Active Site Thrombin Inhibitors | Descriptor: | 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN | Authors: | Jhoti, H, Cleasby, A. | Deposit date: | 1999-06-22 | Release date: | 2000-06-22 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template Biochemistry, 38, 1999
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1QJ1
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![BU of 1qj1 by Molmil](/molmil-images/mine/1qj1) | Novel Covalent Active Site Thrombin Inhibitors | Descriptor: | 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN | Authors: | Jhoti, H, Cleasby, A. | Deposit date: | 1999-06-21 | Release date: | 2000-06-22 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template Biochemistry, 38, 1999
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1GAE
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![BU of 1gae by Molmil](/molmil-images/mine/1gae) | COMPARISON OF THE STRUCTURES OF WILD TYPE AND A N313T MUTANT OF ESCHERICHIA COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASES: IMPLICATION FOR NAD BINDING AND COOPERATIVITY | Descriptor: | D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O. | Deposit date: | 1995-10-24 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Comparison of the structures of wild-type and a N313T mutant of Escherichia coli glyceraldehyde 3-phosphate dehydrogenases: implication for NAD binding and cooperativity. J.Mol.Biol., 257, 1996
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1A2N
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![BU of 1a2n by Molmil](/molmil-images/mine/1a2n) | STRUCTURE OF THE C115A MUTANT OF MURA COMPLEXED WITH THE FLUORINATED ANALOG OF THE REACTION TETRAHEDRAL INTERMEDIATE | Descriptor: | UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID | Authors: | Skarzynski, T. | Deposit date: | 1998-01-06 | Release date: | 1998-04-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Stereochemical course of enzymatic enolpyruvyl transfer and catalytic conformation of the active site revealed by the crystal structure of the fluorinated analogue of the reaction tetrahedral intermediate bound to the active site of the C115A mutant of MurA Biochemistry, 37, 1998
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