6X5K
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![BU of 6x5k by Molmil](/molmil-images/mine/6x5k) | Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CARBON MONOXIDE, Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, ... | Authors: | Cohen, S.E, Wittenborn, E.C, Hendrickson, R, Drennan, C.L. | Deposit date: | 2020-05-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystallographic Characterization of the Carbonylated A-Cluster in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase Acs Catalysis, 10, 2020
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6V59
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6ONS
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![BU of 6ons by Molmil](/molmil-images/mine/6ons) | Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase with the D-cluster ligating cysteines mutated to alanines, coexpressed with CooC, as-isolated | Descriptor: | Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, IRON/SULFUR CLUSTER | Authors: | Cohen, S.E, Wittenborn, E.C, Drennan, C.L. | Deposit date: | 2019-04-22 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.485 Å) | Cite: | Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase. J.Biol.Chem., 294, 2019
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3RON
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![BU of 3ron by Molmil](/molmil-images/mine/3ron) | Crystal Structure and Hemolytic Activity of the Cyt1Aa Toxin from Bacillus thuringiensis subsp. israelensis | Descriptor: | Type-1Aa cytolytic delta-endotoxin | Authors: | Cohen, S, Albeck, S, Ben-Dov, E, Cahan, R, Firer, M, Zaritsky, A, Dym, O, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-04-26 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Cyt1Aa Toxin: Crystal Structure Reveals Implications for Its Membrane-Perforating Function. J.Mol.Biol., 413, 2011
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6NX0
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1ODH
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![BU of 1odh by Molmil](/molmil-images/mine/1odh) | Structure of the GCM domain bound to DNA | Descriptor: | 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, ... | Authors: | Cohen, S.X, Muller, C.W. | Deposit date: | 2003-02-19 | Release date: | 2003-04-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 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
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4E4A
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4E3G
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![BU of 4e3g by Molmil](/molmil-images/mine/4e3g) | |
4E49
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![BU of 4e49 by Molmil](/molmil-images/mine/4e49) | |
4E3D
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4E3H
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4E3F
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6E0Q
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![BU of 6e0q by Molmil](/molmil-images/mine/6e0q) | 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 | Descriptor: | 1,2-ETHANEDIOL, 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Cohen, S.M. | Deposit date: | 2018-07-06 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
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6DZQ
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![BU of 6dzq by Molmil](/molmil-images/mine/6dzq) | 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 | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Cohen, S.M. | Deposit date: | 2018-07-05 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
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6E3M
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![BU of 6e3m by Molmil](/molmil-images/mine/6e3m) | 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 | Descriptor: | 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3N
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![BU of 6e3n by Molmil](/molmil-images/mine/6e3n) | 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 | Descriptor: | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3O
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![BU of 6e3o by Molmil](/molmil-images/mine/6e3o) | 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 | Descriptor: | 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3P
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![BU of 6e3p by Molmil](/molmil-images/mine/6e3p) | 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 | Descriptor: | 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E4C
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![BU of 6e4c by Molmil](/molmil-images/mine/6e4c) | 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 | Descriptor: | 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, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-17 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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8VGZ
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8DDB
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![BU of 8ddb by Molmil](/molmil-images/mine/8ddb) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-06-17 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8CTF
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![BU of 8ctf by Molmil](/molmil-images/mine/8ctf) | 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 | Descriptor: | 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-05-14 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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4JSA
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![BU of 4jsa by Molmil](/molmil-images/mine/4jsa) | Benzenesulfonamide complexed with hCAII H94D | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ... | Authors: | Martin, D.P, Hann, Z.S, Cohen, S.M. | Deposit date: | 2013-03-22 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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4JSS
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![BU of 4jss by Molmil](/molmil-images/mine/4jss) | Human carbonic anhydrase II H94D bound to a bidentate inhibitor | Descriptor: | 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Martin, D.P, Hann, Z.S, Cohen, S.M. | Deposit date: | 2013-03-22 | Release date: | 2013-06-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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4JSZ
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![BU of 4jsz by Molmil](/molmil-images/mine/4jsz) | Benzenesulfonamide bound to hCAII H94C | Descriptor: | Carbonic anhydrase 2, ZINC ION, benzenesulfonamide | Authors: | Martin, D.P, Hann, Z.S, Cohen, S.M. | Deposit date: | 2013-03-22 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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