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PDB: 92 件
5WDC
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BU of 5wdc by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9e (SRI-29843)
分子名称: 2-{(2S)-1-[(2-chlorophenoxy)acetyl]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2017-07-04
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 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
5VPT
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BU of 5vpt by Molmil
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2017-05-05
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 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
5W44
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BU of 5w44 by Molmil
Crystal structure of the influenza virus PA endonuclease 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, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-06-09
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 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
5CCY
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BU of 5ccy by Molmil
2009 H1N1 PA endonuclease in complex with dTMP
分子名称: MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
著者Kumar, G, White, S.W.
登録日2015-07-02
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 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
5DBS
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BU of 5dbs by Molmil
2009 H1N1 PA endonuclease mutant E119D in complex with dTMP
分子名称: MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION, ...
著者Kumar, G, White, S.W.
登録日2015-08-21
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8T94
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BU of 8t94 by Molmil
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
5WE7
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BU of 5we7 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-29782
分子名称: 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, D-MALATE, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-07-07
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-29782
To Be Published
8CTF
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BU of 8ctf by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-05-14
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 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
5DEB
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BU of 5deb by Molmil
2009 H1N1 PA endonuclease mutant E119D in complex with rUMP
分子名称: MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
著者Kumar, G, White, S.W.
登録日2015-08-25
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 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
8DDB
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BU of 8ddb by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 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
5EGA
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BU of 5ega by Molmil
2009 H1N1 PA endonuclease domain in complex with an N-acylhydrazone inhibitor
分子名称: 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2015-10-26
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes.
Sci Rep, 6, 2016
5D2O
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BU of 5d2o by Molmil
2009 H1N1 PA endonuclease mutant F105S
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2015-08-05
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 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
5CGV
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BU of 5cgv by Molmil
2009 H1N1 PA endonuclease 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, GLYCEROL, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2015-07-09
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5VP8
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BU of 5vp8 by Molmil
I38T mutant of 2009 H1N1 PA Endonuclease
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, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-05-04
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 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
8DAL
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BU of 8dal by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile, 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2022-06-13
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 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
5W7U
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BU of 5w7u by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 8f (SRI-29928)
分子名称: 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.
登録日2017-06-20
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 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
4AVG
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BU of 4avg by Molmil
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 2
分子名称: (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-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2012-05-25
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 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
5WAP
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BU of 5wap by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10i (SRI-30025)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-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2017-06-26
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.201 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
5W73
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BU of 5w73 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9f (SRI-29835)
分子名称: 2-{(2S)-1-[(2-chlorophenoxy)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.
登録日2017-06-19
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.202 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
5WB3
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BU of 5wb3 by Molmil
Crystal structure of the influenza virus PA endonuclease 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2017-06-27
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.203 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
5WA7
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BU of 5wa7 by Molmil
Crystal structure of the influenza virus PA endonuclease 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2017-06-25
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.204 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
8DDE
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BU of 8dde by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol
分子名称: (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-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2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.22 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
5CL0
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BU of 5cl0 by Molmil
2009 H1N1 PA endonuclease in complex with rUMP
分子名称: MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
著者Kumar, G, White, S.W.
登録日2015-07-15
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 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
6DZQ
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BU of 6dzq by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ...
著者Dick, B.L, Morrison, C.N, Cohen, S.M.
登録日2018-07-05
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6E6V
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BU of 6e6v by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid, 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 (2.25 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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