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2JC0
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BU of 2jc0 by Molmil
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB655264
分子名称: (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE
著者Wonacott, A, Skarzynski, T, Singh, O.M.
登録日2006-12-18
公開日2007-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
2JC1
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223
分子名称: (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE
著者Wonacott, A, Skarzynski, T, Singh, O.M.
登録日2006-12-18
公開日2007-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: PHOSPHOMANNOSE ISOMERASE, ZINC ION
著者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.
登録日1996-04-03
公開日1997-03-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution.
Nat.Struct.Biol., 3, 1996
1HTG
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X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
分子名称: 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE, HIV-1 PROTEASE
著者Jhoti, H, Wonacott, A, Murray-Rust, P.
登録日1994-04-29
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
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
分子名称: (2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, HIV-1 PROTEASE
著者Jhoti, H, Wonacott, A, Murray-Rust, P.
登録日1994-04-29
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
1HTF
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X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
分子名称: 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID (HYDROXYMETHYL-2-PHENYLETHYL)AMIDE, HIV-1 PROTEASE
著者Jhoti, H, Wonacott, A, Murray-Rust, P.
登録日1994-04-29
公開日1994-07-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
1QHR
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
分子名称: 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE, ALPHA THROMBIN, HIRUGEN
著者Jhoti, H, Cleasby, A, Reid, S, Thomas, P, Wonacott, A.
登録日1999-05-26
公開日2000-05-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template.
Biochemistry, 38, 1999
1BCU
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ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND PROFLAVIN
分子名称: ALPHA-THROMBIN, HIRUGEN, PROFLAVIN
著者Conti, E, Rivetti, C, Wonacott, A, Brick, P.
登録日1998-05-02
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray and spectrophotometric studies of the binding of proflavin to the S1 specificity pocket of human alpha-thrombin.
FEBS Lett., 425, 1998
1BRU
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BU of 1bru by Molmil
STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH THE ELASTASE INHIBITOR GR143783
分子名称: 2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL, ELASTASE
著者Jhoti, H, Singh, O.M.P, Wonacott, A.
登録日1998-08-24
公開日1999-08-25
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献
To be Published
1DUH
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BU of 1duh by Molmil
CRYSTAL STRUCTURE OF THE CONSERVED DOMAIN IV OF E. COLI 4.5S RNA
分子名称: 4.5S RNA DOMAIN IV, LUTETIUM (III) ION, MAGNESIUM ION, ...
著者Jovine, L, Hainzl, T, Oubridge, C, Scott, W.G, Li, J, Sixma, T.K, Wonacott, A, Skarzynski, T, Nagai, K.
登録日2000-01-17
公開日2000-05-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
1UAE
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BU of 1uae by Molmil
STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE
分子名称: UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid
著者Skarzynski, T.
登録日1996-09-30
公開日1997-09-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
1AWH
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BU of 1awh by Molmil
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称: 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
著者Jhoti, H, Cleasby, A, Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
1AWF
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BU of 1awf by Molmil
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称: 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
著者Jhoti, H, Cleasby, A, Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
1QJ7
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Novel Covalent Active Site Thrombin Inhibitors
分子名称: 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者Jhoti, H, Cleasby, A.
登録日1999-06-22
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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Novel Covalent Active Site Thrombin Inhibitors
分子名称: 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者Jhoti, H, Cleasby, A.
登録日1999-06-21
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QJ6
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BU of 1qj6 by Molmil
Novel Covalent Active Site Thrombin Inhibitors
分子名称: 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者Jhoti, H, Cleasby, A.
登録日1999-06-22
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
2FVC
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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
分子名称: 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one, polyprotein
著者Concha, N.O, Wonacott, A, Singh, O.
登録日2006-01-30
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
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
分子名称: D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O.
登録日1995-10-24
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献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
1A2N
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STRUCTURE OF THE C115A MUTANT OF MURA COMPLEXED WITH THE FLUORINATED ANALOG OF THE REACTION TETRAHEDRAL INTERMEDIATE
分子名称: UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID
著者Skarzynski, T.
登録日1998-01-06
公開日1998-04-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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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