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PDB: 374 件
5WEF
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BU of 5wef by Molmil
Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770)
分子名称: 1,2-ETHANEDIOL, 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, ...
著者Kumar, G, White, S.W.
登録日2017-07-09
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (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
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
3H22
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BU of 3h22 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitrosopyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2O
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BU of 3h2o by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
5WE9
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BU of 5we9 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 7b (SRI-29731)
分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MAGNESIUM ION, ...
著者Kumar, G, White, S.W.
登録日2017-07-07
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.804 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
5W3I
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BU of 5w3i by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685)
分子名称: 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-06-07
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 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
3H23
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BU of 3h23 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2E
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BU of 3h2e by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
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
5WA6
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BU of 5wa6 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30007
分子名称: 2-{(2S)-1-[(2-fluorophenoxy)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2017-06-25
公開日2018-05-02
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
2HIM
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BU of 2him by Molmil
Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, ASPARTIC ACID, ...
著者Yun, M.K, Nourse, A, White, S.W, Rock, C.O, Heath, R.J.
登録日2006-06-29
公開日2007-05-15
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I.
J.Mol.Biol., 369, 2007
5WDN
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BU of 5wdn by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6d (SRI-29680)
分子名称: 5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2017-07-05
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
5WCT
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BU of 5wct by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6c (SRI-29775)
分子名称: 2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-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 (2.3 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
3MK6
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BU of 3mk6 by Molmil
Substrate and Inhibitor Binding to Pank
分子名称: ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3
著者Yun, M.-K, White, S.W.
登録日2010-04-14
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain.
Chem.Biol., 17, 2010
3S11
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BU of 3s11 by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, strain 437-10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J.
登録日2011-05-14
公開日2011-12-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
5UTO
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BU of 5uto by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstrom resolution
分子名称: EDD domain protein, DegV family, PALMITIC ACID
著者Cuypers, M.G, Ericson, M, Subramanian, C, Broussard, T.C, Miller, D.J, White, S.W, Rock, C.O.
登録日2017-02-15
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
3TYB
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BU of 3tyb by Molmil
Dihydropteroate Synthase in complex with pHBA and DHP+
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, P-HYDROXYBENZOIC ACID, ...
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
1RL6
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BU of 1rl6 by Molmil
RIBOSOMAL PROTEIN L6
分子名称: PROTEIN (RIBOSOMAL PROTEIN L6)
著者Golden, B.L, Davies, C, Ramakrishnan, V, White, S.W.
登録日1999-01-14
公開日1999-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ribosomal protein L6: structural evidence of gene duplication from a primitive RNA binding protein.
EMBO J., 12, 1993
4JUN
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BU of 4jun by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, clade 5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J.
登録日2013-03-25
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3398 Å)
主引用文献To be published
To be Published
3S13
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BU of 3s13 by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J.
登録日2011-05-14
公開日2011-12-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
3S12
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BU of 3s12 by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J.
登録日2011-05-14
公開日2011-12-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
3MCO
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BU of 3mco by Molmil
Crystal Structure of the 6-hyroxymethyl-7,8-dihydropterin pyrophosphokinase dihydropteroate synthase bifunctional enzyme from Francisella tularensis
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Pemble IV, C.W, Mehta, P.K, Mehra, S, Li, Z, Lee, R.E, White, S.W.
登録日2010-03-29
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.dihydropteroate synthase bifunctional enzyme from Francisella tularensis.
Plos One, 5, 2010
3MCM
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BU of 3mcm by Molmil
Crystal Structure of the 6-hyroxymethyl-7,8-dihydropterin pyrophosphokinase dihydropteroate synthase bifunctional enzyme from Francisella tularensis
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, MAGNESIUM ION
著者Pemble IV, C.W, Mehta, P.K, Mehra, S, Li, Z, Lee, R.E, White, S.W.
登録日2010-03-29
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.dihydropteroate synthase bifunctional enzyme from Francisella tularensis.
Plos One, 5, 2010
3MLH
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BU of 3mlh by Molmil
Crystal structure of the 2009 H1N1 influenza virus hemagglutinin receptor-binding domain
分子名称: GLYCEROL, Hemagglutinin
著者DuBois, R.M, Aguilar-Yanez, J.M, Mendoza-Ochoa, G.I, Schultz-Cherry, S, Alvarez, M.M, White, S.W, Russell, C.J.
登録日2010-04-16
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Receptor-Binding Domain of Influenza Virus Hemagglutinin Produced in Escherichia coli Folds into Its Native, Immunogenic Structure.
J.Virol., 85, 2011
4E5G
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BU of 4e5g by Molmil
Crystal structure of avian influenza virus PAn bound to compound 2
分子名称: 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MANGANESE (II) ION, Polymerase protein PA, ...
著者DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W.
登録日2012-03-14
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.647 Å)
主引用文献Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease.
Plos Pathog., 8, 2012

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