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PDB: 79 件
6X5K
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Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CARBON MONOXIDE, Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, ...
著者Cohen, S.E, Wittenborn, E.C, Hendrickson, R, Drennan, C.L.
登録日2020-05-26
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystallographic Characterization of the Carbonylated A-Cluster in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
Acs Catalysis, 10, 2020
6V59
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Crystal structure of the diheme peroxidase BthA Y463M variant from Burkholderia thailandensis E264
分子名称: CHLORIDE ION, Di-haem cytochrome c peroxidase family protein, GLYCEROL, ...
著者Cohen, S.E, Drennan, C.L.
登録日2019-12-03
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.593 Å)
主引用文献A Stable Ferryl Porphyrin at the Active Site of Y463M BthA.
J.Am.Chem.Soc., 142, 2020
6ONS
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BU of 6ons by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase with the D-cluster ligating cysteines mutated to alanines, coexpressed with CooC, as-isolated
分子名称: Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, IRON/SULFUR CLUSTER
著者Cohen, S.E, Wittenborn, E.C, Drennan, C.L.
登録日2019-04-22
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.485 Å)
主引用文献Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
3RON
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BU of 3ron by Molmil
Crystal Structure and Hemolytic Activity of the Cyt1Aa Toxin from Bacillus thuringiensis subsp. israelensis
分子名称: Type-1Aa cytolytic delta-endotoxin
著者Cohen, S, Albeck, S, Ben-Dov, E, Cahan, R, Firer, M, Zaritsky, A, Dym, O, Israel Structural Proteomics Center (ISPC)
登録日2011-04-26
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Cyt1Aa Toxin: Crystal Structure Reveals Implications for Its Membrane-Perforating Function.
J.Mol.Biol., 413, 2011
6NX0
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BU of 6nx0 by Molmil
Crystal structure of the diheme peroxidase BthA from Burkholderia thailandensis E264
分子名称: CHLORIDE ION, Di-haem cytochrome c peroxidase family protein, GLYCEROL, ...
著者Cohen, S.E, Drennan, C.L.
登録日2019-02-07
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A widely distributed diheme enzyme from Burkholderia that displays an atypically stable bis-Fe(IV) state.
Nat Commun, 10, 2019
1ODH
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BU of 1odh by Molmil
Structure of the GCM domain bound to DNA
分子名称: 5'-D(*CP*GP*AP*TP*GP*CP*GP*GP*GP*TP *GP*CP*A)-3', 5'-D(*TP*GP*CP*AP*CP*CP*CP*GP*CP*AP *TP*CP*G)-3', MGCM1, ...
著者Cohen, S.X, Muller, C.W.
登録日2003-02-19
公開日2003-04-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure of the Gcm Domain-DNA Complex: A DNA-Binding Domain with a Novel Fold and Mode of Target Site Recognition
Embo J., 22, 2003
4E4A
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BU of 4e4a by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: 2-sulfanylbenzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-12
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E3G
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Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-09
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E49
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Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, RESORCINOL, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-12
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E3D
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Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: 2,5-dihydroxybenzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Cohen, S.M.
登録日2012-03-09
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E3H
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BU of 4e3h by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-09
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E3F
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Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: 2,6-DIHYDROXYBENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-09
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
6E0Q
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BU of 6e0q by Molmil
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
6DZQ
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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
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
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
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
6E4C
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BU of 6e4c by Molmil
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
8VGZ
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Influenza PA-N Endonuclease E23K Mutant (amino acids 52-74 truncation)
分子名称: MANGANESE (II) ION, Protein PA-X
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-12-30
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
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
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
4JSA
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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
4JSZ
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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

 

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