4JJS
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![BU of 4jjs by Molmil](/molmil-images/mine/4jjs) | Crystal structure of HCV NS5B polymerase in complex with COMPOUND 2 | 分子名称: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid, Genome polyprotein, MAGNESIUM ION | 著者 | Coulombe, R. | 登録日 | 2013-03-08 | 公開日 | 2013-06-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype. Bioorg.Med.Chem.Lett., 23, 2013
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4JY0
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![BU of 4jy0 by Molmil](/molmil-images/mine/4jy0) | |
4JU6
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![BU of 4ju6 by Molmil](/molmil-images/mine/4ju6) | Crystal structure of hcv ns5b polymerase in complex with compound 24 | 分子名称: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION | 著者 | Coulombe, R. | 登録日 | 2013-03-24 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg.Med.Chem.Lett., 23, 2013
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3MWV
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![BU of 3mwv by Molmil](/molmil-images/mine/3mwv) | Crystal structure of HCV NS5B polymerase | 分子名称: | Genome polyprotein | 著者 | Coulombe, R. | 登録日 | 2010-05-06 | 公開日 | 2010-10-27 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B. J.Am.Chem.Soc., 132, 2010
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4JU7
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![BU of 4ju7 by Molmil](/molmil-images/mine/4ju7) | Crystal structure of hcv ns5b polymerase in complex with compound 24 | 分子名称: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION | 著者 | Coulombe, R. | 登録日 | 2013-03-24 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg.Med.Chem.Lett., 23, 2013
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4IZ0
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![BU of 4iz0 by Molmil](/molmil-images/mine/4iz0) | Crystal structure of HCV NS5B polymerase in complex with 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide | 分子名称: | 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide, RNA-directed RNA polymerase | 著者 | Coulombe, R. | 登録日 | 2013-01-29 | 公開日 | 2013-04-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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2XHU
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![BU of 2xhu by Molmil](/molmil-images/mine/2xhu) | HCV-J4 NS5B Polymerase Orthorhombic Crystal Form | 分子名称: | RNA-directed RNA polymerase, SULFATE ION | 著者 | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | 登録日 | 2010-06-21 | 公開日 | 2010-08-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.287 Å) | 主引用文献 | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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3GNW
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![BU of 3gnw by Molmil](/molmil-images/mine/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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4J0A
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![BU of 4j0a by Molmil](/molmil-images/mine/4j0a) | |
4JVQ
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![BU of 4jvq by Molmil](/molmil-images/mine/4jvq) | Crystal structure of hcv ns5b polymerase in complex with compound 9 | 分子名称: | 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, GLYCEROL, Genome polyprotein, ... | 著者 | Coulombe, R. | 登録日 | 2013-03-26 | 公開日 | 2014-02-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity. J.Med.Chem., 57, 2014
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4JU4
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![BU of 4ju4 by Molmil](/molmil-images/mine/4ju4) | Crystal structure of hcv ns5b polymerase in complex with compound 22 | 分子名称: | 2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION | 著者 | Coulombe, R. | 登録日 | 2013-03-24 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg.Med.Chem.Lett., 23, 2013
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3SKH
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![BU of 3skh by Molmil](/molmil-images/mine/3skh) | |
4RY6
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![BU of 4ry6 by Molmil](/molmil-images/mine/4ry6) | |
4OOW
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![BU of 4oow by Molmil](/molmil-images/mine/4oow) | HCV NS5B polymerase with a fragment of quercetagetin | 分子名称: | CATECHOL, RNA-directed RNA polymerase | 著者 | Guichou, J.F, Ahmed-Belkacem, A, Rozenn, B, Nazim, N, Hernandez, E, Pallier, C, Pawlotsky, J.M. | 登録日 | 2014-02-04 | 公開日 | 2014-12-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Inhibition of RNA binding to hepatitis C virus RNA-dependent RNA polymerase: a new mechanism for antiviral intervention. Nucleic Acids Res., 42, 2014
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4RY4
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1NB6
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![BU of 1nb6 by Molmil](/molmil-images/mine/1nb6) | HC-J4 RNA polymerase complexed with UTP | 分子名称: | MANGANESE (II) ION, URIDINE 5'-TRIPHOSPHATE, polyprotein | 著者 | O'Farrell, D.J, Trowbridge, R, Rowlands, D.J, Jaeger, J. | 登録日 | 2002-12-02 | 公開日 | 2003-03-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Substrate complexes of hepatitis C virus RNA polymerase (HC-J4): structural evidence for nucleotide import and de-novo initiation. J.Mol.Biol., 326, 2003
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4JTY
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![BU of 4jty by Molmil](/molmil-images/mine/4jty) | Crystal structure of HCV NS5B polymerase with COMPOUND 2 | 分子名称: | 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide, GLYCEROL, Genome polyprotein, ... | 著者 | Coulombe, R. | 登録日 | 2013-03-24 | 公開日 | 2013-07-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency. J.Med.Chem., 57, 2014
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4JY1
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![BU of 4jy1 by Molmil](/molmil-images/mine/4jy1) | |
2XHW
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![BU of 2xhw by Molmil](/molmil-images/mine/2xhw) | HCV-J4 NS5B Polymerase Trigonal Crystal Form | 分子名称: | RNA-directed RNA polymerase | 著者 | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | 登録日 | 2010-06-21 | 公開日 | 2010-08-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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4GMC
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![BU of 4gmc by Molmil](/molmil-images/mine/4gmc) | Crystal structure of HCV NS5B polymerase in complex with a thumb inhibitor | 分子名称: | 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide, NS5B polymerase, SULFATE ION | 著者 | Coulombe, R. | 登録日 | 2012-08-15 | 公開日 | 2013-02-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Allosteric N-acetamide-indole-6-carboxylic acid thumb pocket 1 inhibitors of hepatitis C virus NS5B polymerase - Acylsulfonamides and acylsulfamides as carboxylic acid replacements Can.J.Chem., 91, 2013
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4JU2
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![BU of 4ju2 by Molmil](/molmil-images/mine/4ju2) | Crystal structure of hcv ns5b polymerase in complex with compound 12 | 分子名称: | 6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | 著者 | Coulombe, R. | 登録日 | 2013-03-24 | 公開日 | 2013-07-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency. J.Med.Chem., 57, 2014
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3CSO
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![BU of 3cso by Molmil](/molmil-images/mine/3cso) | HCV Polymerase in complex with a 1,5 Benzodiazepine inhibitor | 分子名称: | (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, RNA-directed RNA polymerase | 著者 | Nyanguile, O. | 登録日 | 2008-04-10 | 公開日 | 2009-04-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | 1,5-benzodiazepines, a novel class of hepatitis C virus polymerase nonnucleoside inhibitors. Antimicrob.Agents Chemother., 52, 2008
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4RY5
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![BU of 4ry5 by Molmil](/molmil-images/mine/4ry5) | C-terminal mutant (W550N) of HCV/J4 RNA polymerase | 分子名称: | HCV J4 RNA polymerase (NS5B), MANGANESE (II) ION, URIDINE 5'-TRIPHOSPHATE | 著者 | Jaeger, J, Cherry, A, Dennis, C. | 登録日 | 2014-12-13 | 公開日 | 2014-12-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Hydrophobic and Charged Residues in the C-Terminal Arm of Hepatitis C Virus RNA-Dependent RNA Polymerase Regulate Initiation and Elongation. J.Virol., 89, 2015
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3GNV
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![BU of 3gnv by Molmil](/molmil-images/mine/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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4JTZ
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![BU of 4jtz by Molmil](/molmil-images/mine/4jtz) | Crystal structure of hcv ns5b polymerase in complex with compound 4 | 分子名称: | 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide, GLYCEROL, Genome polyprotein, ... | 著者 | Coulombe, R. | 登録日 | 2013-03-24 | 公開日 | 2013-07-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency. J.Med.Chem., 57, 2014
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