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2JC1
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BU of 2jc1 by Molmil
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:2011-07-13
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
2JC0
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BU of 2jc0 by Molmil
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:2011-07-13
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
1PMI
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BU of 1pmi by Molmil
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
1QHR
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BU of 1qhr by Molmil
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
1HTE
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BU of 1hte by Molmil
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
1HTF
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BU of 1htf by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
Descriptor: 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID (HYDROXYMETHYL-2-PHENYLETHYL)AMIDE, 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 (2.2 Å)
Cite:X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
1HTG
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BU of 1htg by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
Descriptor: 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE, 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 Å)
Cite:X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
1BCU
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BU of 1bcu by Molmil
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
1DUH
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BU of 1duh by Molmil
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
1BRU
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BU of 1bru by Molmil
STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH THE ELASTASE INHIBITOR GR143783
Descriptor: 2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL, ELASTASE
Authors:Jhoti, H, Singh, O.M.P, Wonacott, A.
Deposit date:1998-08-24
Release date:1999-08-25
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:
To be Published
1AWF
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BU of 1awf by Molmil
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
1AWH
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BU of 1awh by Molmil
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:2018-04-18
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
1QJ6
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BU of 1qj6 by Molmil
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
1QJ7
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BU of 1qj7 by Molmil
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
1QJ1
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BU of 1qj1 by Molmil
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
1UAE
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BU of 1uae by Molmil
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
2FVC
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BU of 2fvc by Molmil
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
1A2N
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BU of 1a2n by Molmil
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:2023-08-02
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
1GAE
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BU of 1gae by Molmil
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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