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PDB: 79 件

5HI0
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The Substrate Binding Mode and Chemical Basis of a Reaction Specificity Switch in Oxalate Decarboxylase
分子名称: COBALT (II) ION, OXALATE ION, Oxalate decarboxylase OxdC, ...
著者Zhu, W, Easthon, L.M, Reinhardt, L.A, Tu, C, Cohen, S.E, Silverman, D.N, Allen, K.N, Richards, N.G.J.
登録日2016-01-11
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Substrate Binding Mode and Molecular Basis of a Specificity Switch in Oxalate Decarboxylase.
Biochemistry, 55, 2016
8DJV
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The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
分子名称: 6-bromo-3-hydroxy-N-methoxy-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2022-07-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.08 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
8DDE
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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
8DHN
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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
8DJY
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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
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
6ONC
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Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase produced without CooC, as-isolated
分子名称: CHLORIDE ION, Carbon monoxide dehydrogenase, FE (III) ION, ...
著者Wittenborn, E.C, Cohen, S.E, Drennan, C.L.
登録日2019-04-21
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
6E6W
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BU of 6e6w by Molmil
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
6E6X
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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
8E7V
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BU of 8e7v by Molmil
Cryo-EM structure of substrate-free DNClpX.ClpP from singly capped particles
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
著者Ghanbarpour, A, Cohen, S, Davis, J.H, Sauer, R.T.
登録日2022-08-24
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of substrate-free DNClpX.ClpP
Nat Commun, 2023
8E8Q
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BU of 8e8q by Molmil
Cryo-EM structure of substrate-free DNClpX.ClpP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
著者Ghanbarpour, A, Cohen, S, Davis, J.H, Sauer, R.T.
登録日2022-08-25
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structure of substrate-free DNClpX.ClpP
Nat Commun, 2023
3HRT
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BU of 3hrt by Molmil
Crystal Structure of ScaR with bound Cd2+
分子名称: CADMIUM ION, Metalloregulator ScaR, SULFATE ION
著者Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A.
登録日2009-06-09
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 2009
3HRU
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Crystal Structure of ScaR with bound Zn2+
分子名称: Metalloregulator ScaR, SULFATE ION, ZINC ION
著者Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A.
登録日2009-06-09
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 2009
3HRS
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Crystal Structure of the Manganese-activated Repressor ScaR: apo form
分子名称: Metalloregulator ScaR, SULFATE ION
著者Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A.
登録日2009-06-09
公開日2009-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 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
6OND
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BU of 6ond by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase produced without CooC, reduced
分子名称: CHLORIDE ION, Carbon monoxide dehydrogenase, FE (III) ION, ...
著者Wittenborn, E.C, Cohen, S.E, Drennan, C.L.
登録日2019-04-21
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
4JSA
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BU of 4jsa by Molmil
Benzenesulfonamide complexed with hCAII H94D
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ...
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
4JSS
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BU of 4jss by Molmil
Human carbonic anhydrase II H94D bound to a bidentate inhibitor
分子名称: 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
4JSW
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BU of 4jsw by Molmil
Human carbonic anhydrase II H94C
分子名称: Carbonic anhydrase 2, ZINC ION
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
4JSZ
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BU of 4jsz by Molmil
Benzenesulfonamide bound to hCAII H94C
分子名称: Carbonic anhydrase 2, ZINC ION, benzenesulfonamide
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
4JS6
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BU of 4js6 by Molmil
Crystal structure of inhibitor-free hCAII H94D
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
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
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
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
8T5Z
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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

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