3GNV
 
 | | HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 1b | | 分子名称: | (11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, GLYCEROL, RNA-directed RNA polymerase | | 著者 | De Bondt, H, Nyanguile, O. | | 登録日 | 2009-03-18 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.
J.Med.Chem., 52, 2009
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1HCK
 | | HUMAN CYCLIN-DEPENDENT KINASE 2 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, HUMAN CYCLIN-DEPENDENT KINASE 2, MAGNESIUM ION | | 著者 | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | | 登録日 | 1996-06-03 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
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283D
 | | A CURVED RNA HELIX INCORPORATING AN INTERNAL LOOP WITH G-A AND A-A NON-WATSON-CRICK BASE PAIRING | | 分子名称: | MANGANESE (II) ION, RNA (5'-R(*GP*GP*CP*CP*GP*AP*AP*AP*GP*GP*CP*C)-3') | | 著者 | Baeyens, K.J, De Bondt, H.L, Pardi, A, Holbrook, S.R. | | 登録日 | 1996-09-03 | | 公開日 | 1996-09-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A curved RNA helix incorporating an internal loop with G.A and A.A non-Watson-Crick base pairing.
Proc.Natl.Acad.Sci.USA, 93, 1996
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9PAI
 | | CLEAVED SUBSTRATE VARIANT OF PLASMINOGEN ACTIVATOR INHIBITOR-1 | | 分子名称: | PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) residues 19-364, PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) residues 365-397 | | 著者 | Aertgeerts, K, De Bondt, H.L, De Ranter, C.J, Declerck, P.J. | | 登録日 | 1999-03-11 | | 公開日 | 1999-03-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Mechanisms contributing to the conformational and functional flexibility of plasminogen activator inhibitor-1.
Nat.Struct.Biol., 2, 1995
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2TNF
 | | 1.4 A RESOLUTION STRUCTURE OF MOUSE TUMOR NECROSIS FACTOR, TOWARDS MODULATION OF ITS SELECTIVITY AND TRIMERISATION | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, PROTEIN (TUMOR NECROSIS FACTOR ALPHA) | | 著者 | Baeyens, K.J, De Bondt, H.L, Raeymaekers, A, Fiers, W, De Ranter, C.J. | | 登録日 | 1998-10-12 | | 公開日 | 1999-10-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The structure of mouse tumour-necrosis factor at 1.4 A resolution: towards modulation of its selectivity and trimerization.
Acta Crystallogr.,Sect.D, 55, 1999
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3KPE
 | | Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV | | 分子名称: | 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 | | 著者 | Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K. | | 登録日 | 2009-11-16 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | 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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2SAK
 | | STAPHYLOKINASE (SAKSTAR VARIANT) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, STAPHYLOKINASE | | 著者 | Rabijns, A, De Bondt, H.L, De Maeyer, M, Lasters, I, De Ranter, C. | | 登録日 | 1997-02-20 | | 公開日 | 1998-02-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Three-dimensional structure of staphylokinase, a plasminogen activator with therapeutic potential.
Nat.Struct.Biol., 4, 1997
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205D
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1HCL
 | | HUMAN CYCLIN-DEPENDENT KINASE 2 | | 分子名称: | HUMAN CYCLIN-DEPENDENT KINASE 2 | | 著者 | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | | 登録日 | 1996-06-03 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
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1UQR
 | | Type II 3-dehydroquinate dehydratase (DHQase) from Actinobacillus pleuropneumoniae | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | 著者 | Maes, D, Gonzalez-Ramirez, L.A, Lopez-Jaramillo, J, Yu, B, De Bondt, H, Zegers, I, Afonina, E, Garcia-Ruiz, J.M, Gulnik, S. | | 登録日 | 2003-10-16 | | 公開日 | 2003-10-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Study of the Type II 3-Dehydroquinate Dehydratase from Actinobacillus Pleuropneumoniae
Acta Crystallogr.,Sect.D, 60, 2004
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3GOL
 | | HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d | | 分子名称: | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, MAGNESIUM ION, RNA-directed RNA polymerase | | 著者 | Nyanguile, O, De Bondt, H. | | 登録日 | 2009-03-19 | | 公開日 | 2009-06-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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3HKW
 | | HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6 | | 分子名称: | (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, GLYCEROL, NS5B RNA-dependent RNA polymerase, ... | | 著者 | Nyanguile, O, De Bondt, H.L. | | 登録日 | 2009-05-26 | | 公開日 | 2010-05-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | 1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
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3HKY
 | | HCV NS5B polymerase genotype 1b in complex with 1,5 benzodiazepine 6 | | 分子名称: | (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase, ... | | 著者 | Nyanguile, O, De Bondt, H.L. | | 登録日 | 2009-05-26 | | 公開日 | 2010-05-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
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3GNW
 | | HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c | | 分子名称: | (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase | | 著者 | Nyanguile, O, De Bondt, H. | | 登録日 | 2009-03-18 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.
J.Med.Chem., 52, 2009
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