5WEI
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 7a (SRI-29770) | 分子名称: | 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-07-10 | 公開日 | 2017-12-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5WA6
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5WF3
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9k (SRI-30023) | 分子名称: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-07-11 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5WFM
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10e (SRI-30024) | 分子名称: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-07-12 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5WEB
| Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10e (SRI-30024) | 分子名称: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-07-08 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.254 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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7N68
| The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288 | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2021-06-07 | 公開日 | 2022-06-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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5D8U
| 2009 H1N1 PA endonuclease mutant E119D in complex with L-742,001 | 分子名称: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | 著者 | Kumar, G, White, S.W. | 登録日 | 2015-08-18 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc.Natl.Acad.Sci.USA, 113, 2016
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6FS6
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5WFW
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10j (SRI-30026) | 分子名称: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-07-12 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.292 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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4AWF
| Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with 2 4-dioxo-4-phenylbutanoic acid DPBA | 分子名称: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MANGANESE (II) ION, POLYMERASE PA | 著者 | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | 登録日 | 2012-06-03 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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5WDW
| Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10k (SRI-30027) | 分子名称: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-07-06 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5WG9
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9b (SRI-30101) | 分子名称: | 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-07-13 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5WCT
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5W92
| Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30049 | 分子名称: | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ... | 著者 | Kumar, G, White, S. | 登録日 | 2017-06-22 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5VRJ
| 2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium | 分子名称: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MAGNESIUM ION, Polymerase acidic protein, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-05-10 | 公開日 | 2018-04-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | 主引用文献 | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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5VPX
| I38T mutant of 2009 H1N1 PA Endonuclease in complex with RO-7 | 分子名称: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-05-06 | 公開日 | 2018-04-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | 主引用文献 | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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7N55
| The crystal structure of the mutant I38T PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514 | 分子名称: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2021-06-04 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6E6W
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | 分子名称: | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | 著者 | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | 登録日 | 2018-07-25 | 公開日 | 2019-07-31 | 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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6E0Q
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid | 分子名称: | 1,2-ETHANEDIOL, 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid, MANGANESE (II) ION, ... | 著者 | Dick, B.L, Morrison, C.N, Cohen, S.M. | 登録日 | 2018-07-06 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
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6E4C
| 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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7N8F
| The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288 | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2021-06-14 | 公開日 | 2022-06-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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5WFZ
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 8e (SRI-30049) | 分子名称: | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Kumar, G, White, S.W. | 登録日 | 2017-07-13 | 公開日 | 2017-12-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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7LM4
| The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503 | 分子名称: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | 登録日 | 2021-02-05 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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7RKP
| The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with cyclic compound SJ001034733 | 分子名称: | (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2021-07-22 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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7N47
| The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514 | 分子名称: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2021-06-03 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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