8IJU
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![BU of 8iju by Molmil](/molmil-images/mine/8iju) | ATP-dependent RNA helicase DDX39A (URH49delta41) | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DDX39A, PHOSPHATE ION, ... | Authors: | Mikami, B, Fujita, K, Masuda, S, Kojima, M. | Deposit date: | 2023-02-28 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural differences between the closely related RNA helicases, UAP56 and URH49, fashion distinct functional apo-complexes. Nat Commun, 15, 2024
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1BOL
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![BU of 1bol by Molmil](/molmil-images/mine/1bol) | |
3A75
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![BU of 3a75 by Molmil](/molmil-images/mine/3a75) | |
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 | Descriptor: | 6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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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4JTY
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![BU of 4jty by Molmil](/molmil-images/mine/4jty) | Crystal structure of HCV NS5B polymerase with COMPOUND 2 | Descriptor: | 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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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4JTW
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![BU of 4jtw by Molmil](/molmil-images/mine/4jtw) | Crystal structure of HCV NS5B polymerase in complex with coupound 1 | Descriptor: | 1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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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4JU1
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![BU of 4ju1 by Molmil](/molmil-images/mine/4ju1) | Crystal structure of hcv ns5b polymerase in complex with compound 6 | Descriptor: | 6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 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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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 | Descriptor: | 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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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4JJU
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![BU of 4jju by Molmil](/molmil-images/mine/4jju) | Crystal structure of HCV NS5B polymerase in complex with COMPOUND 29 | Descriptor: | 1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-08 | Release date: | 2013-06-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | 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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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 | Descriptor: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid, Genome polyprotein, MAGNESIUM ION | Authors: | Coulombe, R. | Deposit date: | 2013-03-08 | Release date: | 2013-06-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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6TL2
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![BU of 6tl2 by Molmil](/molmil-images/mine/6tl2) | |
3MWV
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![BU of 3mwv by Molmil](/molmil-images/mine/3mwv) | Crystal structure of HCV NS5B polymerase | Descriptor: | Genome polyprotein | Authors: | Coulombe, R. | Deposit date: | 2010-05-06 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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3MWW
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![BU of 3mww by Molmil](/molmil-images/mine/3mww) | Crystal structure of HCV NS5B polymerase | Descriptor: | 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1H-indole-6-carboxylic acid, Genome polyprotein, SULFATE ION | Authors: | Coulombe, R. | Deposit date: | 2010-05-06 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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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