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PDB: 92 件
7MTY
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BU of 7mty by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988569
分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-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2021-05-13
公開日2022-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.38 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
7MY5
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BU of 7my5 by Molmil
The crystal structure of wild type 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, J.P, Rankovic, Z, White, S.W.
登録日2021-05-20
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
To Be Published
8DHN
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BU of 8dhn by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
分子名称: (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one, MANGANESE (II) ION, PA endonuclease
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-27
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 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
7MX0
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BU of 7mx0 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-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2021-05-17
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
To Be Published
6E6X
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BU of 6e6x by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 1-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxy-2-methylpyridin-4(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one, MANGANESE (II) ION, ...
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 (2.5 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
8DJY
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BU of 8djy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one
分子名称: (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one, 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2022-07-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 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
5WCS
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BU of 5wcs by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6b (SRI-29789)
分子名称: 5-hydroxy-2-[(2S)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2017-07-01
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.525 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
8T81
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BU of 8t81 by Molmil
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
4AWM
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BU of 4awm by Molmil
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with (-)-epigallocatechin gallate from green tea
分子名称: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, MANGANESE (II) ION, POLYMERASE PA
著者Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S.
登録日2012-06-04
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 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
4AWG
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BU of 4awg by Molmil
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 3
分子名称: (2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic 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 (2.6 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
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
7ML8
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BU of 7ml8 by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ001023038
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide, GLUTAMIC ACID, Hexa Vinylpyrrolidone K15, ...
著者Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W.
登録日2021-04-27
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with St Jude compound AC067-19
To Be Published
6E3P
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BU of 6e3p by Molmil
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
7MPF
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BU of 7mpf by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000986436
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-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2021-05-04
公開日2022-05-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 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
6DCZ
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BU of 6dcz by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
分子名称: 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Dick, B.L, Morrison, C.N, Cohen, S.M.
登録日2018-05-08
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6E3N
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BU of 6e3n by Molmil
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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BU of 6e3o by Molmil
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
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