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3FQK
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Hepatitis C virus polymerase NS5B (BK 1-570) with HCV-796 inhibitor
分子名称: 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase
著者Harris, S.F, Wong, A.
登録日2009-01-07
公開日2009-02-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Slow binding inhibition and mechanism of resistance of non-nucleoside polymerase inhibitors of hepatitis C virus.
J.Biol.Chem., 284, 2009
7V04
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BU of 7v04 by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-05-09
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
2XWY
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Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase
分子名称: (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Baiocco, P.
登録日2010-11-06
公開日2010-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase
J.Med.Chem., 54, 2011
4IQX
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Mutant P44S P169S M296I of Foot-and-mouth disease Virus RNA-dependent RNA polymerase
分子名称: 3D polymerase, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*CP*CP*C)-3')
著者Ferrer-Orta, C, Verdaguer, N, Agudo, R, Perez-Luque, R.
登録日2013-01-14
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A multi-step process of viral adaptation to a mutagenic nucleoside analogue by modulation of transition types leads to extinction-escape.
Plos Pathog., 6, 2010
4IUJ
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Structure of Polymerase acid protein (PA) from Influenzavirus A Influenza A virus A, WILSON-SMITH/1933 (H1N1)
分子名称: Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-01-21
公開日2013-02-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of H1N1 and H7N9 influenza A virus PA in the absence of PB1.
Sci Rep, 4, 2014
4DRU
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BU of 4dru by Molmil
HCV NS5B in complex with macrocyclic INDOLE INHIBITOR
分子名称: 13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide, GLYCEROL, RNA-directed RNA polymerase, ...
著者Cummings, M.D, Vendeville, S.
登録日2012-02-17
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based macrocyclization yields hepatitis C virus NS5B inhibitors with improved binding affinities and pharmacokinetic properties.
Angew.Chem.Int.Ed.Engl., 51, 2012
6GVY
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Mutant M16A of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus complexed with an template -primer RNA
分子名称: GLYCEROL, Genome polyprotein, RNA (5'-R(P*CP*CP*GP*GP*G)-3'), ...
著者Verdaguer, N, Ferrer-Orta, C.
登録日2018-06-21
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contribution of a Multifunctional Polymerase Region of Foot-and-Mouth Disease Virus to Lethal Mutagenesis.
J. Virol., 92, 2018
4EAW
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HCV NS5B in complex with IDX375
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide, ...
著者Dousson, C.B, Paparin, J.-L, Surleraux, D, Augustin, M, Blaesse, M, Hoeppner, S, Krapp, S, Wenzkowski, C.
登録日2012-03-22
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HCV NS5B in complex with IDX375
To be Published
6Y6K
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BU of 6y6k by Molmil
Cryo-EM structure of a Phenuiviridae L protein
分子名称: MAGNESIUM ION, RNA-dependent RNA polymerase
著者Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M.
登録日2020-02-26
公開日2020-04-08
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
Nucleic Acids Res., 48, 2020
1OS5
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Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.
分子名称: 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase
著者Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A.
登録日2003-03-18
公開日2004-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme.
J.Virol., 77, 2003
4Q7J
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Complex structure of viral RNA polymerase
分子名称: 30S ribosomal protein S1, Elongation factor Ts, Elongation factor Tu 1, ...
著者Takeshita, D.
登録日2014-04-25
公開日2014-08-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular insights into replication initiation by Q beta replicase using ribosomal protein S1.
Nucleic Acids Res., 42, 2014
8T5Z
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BU of 8t5z by Molmil
Influenza PA-N Endonuclease (amino acids 52-74 truncation)
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-14
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T94
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Influenza PAN endonuclease with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-23
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T67
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Influenza PA-N Endonuclease I38T Mutant (amino acids 52-74 truncation)
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-15
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T6Z
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BU of 8t6z by Molmil
Influenza PAN endonuclease I38T mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-19
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T81
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Influenza PAN endonuclease E23K mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T5W
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BU of 8t5w by Molmil
Influenza PAN endonuclease I38T mutant with Baloxavir
分子名称: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-14
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
5XE0
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BU of 5xe0 by Molmil
Crystal structure of EV-D68-3Dpol in complex with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Genome polyprotein
著者Xie, W, Wang, C, Wang, Z, Li, Q, Wang, C.
登録日2017-03-30
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure and Thermostability Characterization of Enterovirus D68 3Dpol
J. Virol., 91, 2017
5Y6R
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BU of 5y6r by Molmil
Crystal structure of CSFV NS5B
分子名称: GLYCEROL, Genome polyprotein, SULFATE ION
著者Li, W, Wu, B.
登録日2017-08-13
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystal Structure of Classical Swine Fever Virus NS5B Reveals a Novel N-Terminal Domain
J. Virol., 92, 2018
5ZVS
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Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly
分子名称: Putative core protein NTPase/VP5, VP2, VP3
著者Liu, H, Fang, Q, Cheng, L.
登録日2018-05-12
公開日2018-07-04
最終更新日2018-07-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6E3M
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BU of 6e3m by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3N
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The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-6-(o-tolyl)-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3O
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The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3P
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The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-(1H-tetrazol-5-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E4C
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The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-17
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019

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