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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3HKW
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![BU of 3hkw by Molmil](/molmil-images/mine/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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5C37
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![BU of 5c37 by Molmil](/molmil-images/mine/5c37) | Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor | 分子名称: | 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, CHLORIDE ION, Fatty acid synthase, ... | 著者 | Schubert, C, Milligan, C.M, Vo, K, Grasberger, B. | 登録日 | 2015-06-17 | 公開日 | 2016-06-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy. Bioorg.Med.Chem.Lett., 28, 2018
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3OYB
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![BU of 3oyb by Molmil](/molmil-images/mine/3oyb) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI MK2048 | 分子名称: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYI
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![BU of 3oyi by Molmil](/molmil-images/mine/3oyi) | |
3OYJ
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![BU of 3oyj by Molmil](/molmil-images/mine/3oyj) | Crystal structure of the PFV S217Q mutant intasome in complex with magnesium and the INSTI MK2048 | 分子名称: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYL
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![BU of 3oyl by Molmil](/molmil-images/mine/3oyl) | Crystal structure of the PFV S217H mutant intasome bound to magnesium and the INSTI MK2048 | 分子名称: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYE
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![BU of 3oye by Molmil](/molmil-images/mine/3oye) | |
3OYM
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![BU of 3oym by Molmil](/molmil-images/mine/3oym) | Crystal structure of the PFV N224H mutant intasome bound to manganese | 分子名称: | AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYH
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![BU of 3oyh by Molmil](/molmil-images/mine/3oyh) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI MK0536 | 分子名称: | 6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYK
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![BU of 3oyk by Molmil](/molmil-images/mine/3oyk) | Crystal structure of the PFV S217H mutant intasome bound to manganese | 分子名称: | AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYC
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![BU of 3oyc by Molmil](/molmil-images/mine/3oyc) | |
3OYN
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![BU of 3oyn by Molmil](/molmil-images/mine/3oyn) | Crystal structure of the PFV N224H mutant intasome bound to magnesium and the INSTI MK2048 | 分子名称: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYG
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![BU of 3oyg by Molmil](/molmil-images/mine/3oyg) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI Compound1 (CompoundG) | 分子名称: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYF
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![BU of 3oyf by Molmil](/molmil-images/mine/3oyf) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI L-870,810 | 分子名称: | 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | 著者 | Hare, S, Cherepanov, P. | 登録日 | 2010-09-23 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYD
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![BU of 3oyd by Molmil](/molmil-images/mine/3oyd) | |
2BOS
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![BU of 2bos by Molmil](/molmil-images/mine/2bos) | A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR | 分子名称: | N-BUTANE, PROTEIN (SHIGA-LIKE TOXIN IIE B SUBUNIT), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ... | 著者 | Ling, H, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J. | 登録日 | 1998-10-20 | 公開日 | 1999-10-20 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A mutant Shiga-like toxin IIe bound to its receptor Gb(3): structure of a group II Shiga-like toxin with altered binding specificity. Structure Fold.Des., 8, 2000
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1QNU
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![BU of 1qnu by Molmil](/molmil-images/mine/1qnu) | Shiga-Like Toxin I B Subunit Complexed with the Bridged-Starfish Inhibitor | 分子名称: | ETHYL-CARBAMIC ACID METHYL ESTER, METHYL-CARBAMIC ACID ETHYL ESTER, Shiga toxin 1 variant B subunit, ... | 著者 | Pannu, N.S, Hayakawa, K, Read, R.J. | 登録日 | 1999-10-21 | 公開日 | 2000-04-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Shiga-like toxins are neutralized by tailored multivalent carbohydrate ligands. Nature, 403, 2000
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1QOH
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![BU of 1qoh by Molmil](/molmil-images/mine/1qoh) | A MUTANT SHIGA-LIKE TOXIN IIE | 分子名称: | SHIGA-LIKE TOXIN IIE B SUBUNIT | 著者 | Pannu, N.S, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J. | 登録日 | 1999-11-08 | 公開日 | 2000-07-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | A Mutant Shiga-Like Toxin Iie Bound to its Receptor Gb(3): Structure of a Group II Shiga-Like Toxin with Altered Binding Specificity Structure, 8, 2000
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1C48
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![BU of 1c48 by Molmil](/molmil-images/mine/1c48) | MUTATED SHIGA-LIKE TOXIN B SUBUNIT (G62T) | 分子名称: | PROTEIN (SHIGA-LIKE TOXIN I B SUBUNIT) | 著者 | Ling, H, Bast, D, Brunton, J.L, Read, R.J. | 登録日 | 1999-08-11 | 公開日 | 2000-08-16 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification of the Primary Receptor Binding Site of Shiga-Like Toxin B Subunits: Structures of Mutated Shiga-Like Toxin I B-Pentamer with and without Bound Carbohydrate To be Published
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1C4Q
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![BU of 1c4q by Molmil](/molmil-images/mine/1c4q) | |
3OY9
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![BU of 3oy9 by Molmil](/molmil-images/mine/3oy9) | |