2WEG
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![BU of 2weg by Molmil](/molmil-images/mine/2weg) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | 分子名称: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | 登録日 | 2009-03-31 | 公開日 | 2009-11-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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3M1K
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![BU of 3m1k by Molmil](/molmil-images/mine/3m1k) | Carbonic Anhydrase in complex with fragment | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ... | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G. | 登録日 | 2010-03-05 | 公開日 | 2010-11-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry. Chemmedchem, 5, 2010
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4KYK
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![BU of 4kyk by Molmil](/molmil-images/mine/4kyk) | Crystal structure of mouse glyoxalase I complexed with indomethacin | 分子名称: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | 著者 | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | 登録日 | 2013-05-29 | 公開日 | 2013-08-07 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Zopolrestat as a human glyoxalase I inhibitor and its structural basis. Chemmedchem, 8, 2013
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2WEO
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![BU of 2weo by Molmil](/molmil-images/mine/2weo) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | 分子名称: | 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | 登録日 | 2009-04-01 | 公開日 | 2009-11-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEJ
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![BU of 2wej by Molmil](/molmil-images/mine/2wej) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | 分子名称: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ... | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | 登録日 | 2009-03-31 | 公開日 | 2009-11-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEH
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![BU of 2weh by Molmil](/molmil-images/mine/2weh) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | 分子名称: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | 登録日 | 2009-03-31 | 公開日 | 2009-11-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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4BLY
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![BU of 4bly by Molmil](/molmil-images/mine/4bly) | CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM V | 分子名称: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Medrano, F.J, Romero, A. | 登録日 | 2013-05-05 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | 主引用文献 | Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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5NUD
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4BLX
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![BU of 4blx by Molmil](/molmil-images/mine/4blx) | CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM IV | 分子名称: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I | 著者 | Medrano, F.J, Romero, A. | 登録日 | 2013-05-05 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.249 Å) | 主引用文献 | Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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4BLL
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![BU of 4bll by Molmil](/molmil-images/mine/4bll) | Crystal Structure of Fungal Versatile Peroxidase I from Pleurotus ostreatus - Crystal Form II | 分子名称: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I, ... | 著者 | Medrano, F.J, Romero, A. | 登録日 | 2013-05-03 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.099 Å) | 主引用文献 | Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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4QIZ
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![BU of 4qiz by Molmil](/molmil-images/mine/4qiz) | Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-06-03 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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4QJP
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![BU of 4qjp by Molmil](/molmil-images/mine/4qjp) | Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-06-04 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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4BLZ
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![BU of 4blz by Molmil](/molmil-images/mine/4blz) | CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM VI | 分子名称: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I | 著者 | Medrano, F.J, Romero, A. | 登録日 | 2013-05-05 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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3GS7
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![BU of 3gs7 by Molmil](/molmil-images/mine/3gs7) | Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13) | 分子名称: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin | 著者 | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | 登録日 | 2009-03-26 | 公開日 | 2009-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
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4BLK
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![BU of 4blk by Molmil](/molmil-images/mine/4blk) | Crystal Structure of Fungal Versatile Peroxidase I from Pleurotus ostreatus - Crystal Form I | 分子名称: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I | 著者 | Medrano, F.J, Romero, A. | 登録日 | 2013-05-03 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | 主引用文献 | Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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7USK
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![BU of 7usk by Molmil](/molmil-images/mine/7usk) | BRD4-BD2 Ligand free | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | 著者 | Jayasinghe, T.D, Ronning, D.R. | 登録日 | 2022-04-25 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7USJ
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![BU of 7usj by Molmil](/molmil-images/mine/7usj) | BRD4-BD2 in complex with SF2523 | 分子名称: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 | 著者 | Jayasinghe, T.D, Ronning, D.R. | 登録日 | 2022-04-25 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7ZWE
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![BU of 7zwe by Molmil](/molmil-images/mine/7zwe) | The Crystal structure of GW8695 bound to CK2alpha | 分子名称: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-19 | 公開日 | 2023-05-31 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 20, 2024
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4BW1
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![BU of 4bw1 by Molmil](/molmil-images/mine/4bw1) | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | 登録日 | 2013-06-29 | 公開日 | 2013-09-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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4BW3
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![BU of 4bw3 by Molmil](/molmil-images/mine/4bw3) | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | 登録日 | 2013-06-29 | 公開日 | 2013-09-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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5NWZ
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8AHK
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4BW4
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![BU of 4bw4 by Molmil](/molmil-images/mine/4bw4) | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | 分子名称: | 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | 登録日 | 2013-06-29 | 公開日 | 2013-09-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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2NXA
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2NZE
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![BU of 2nze by Molmil](/molmil-images/mine/2nze) | Structure of beta-lactamase II from Bacillus cereus. R121H, C221S double mutant. Space group P3121. | 分子名称: | ACETIC ACID, Beta-lactamase II, GLYCEROL, ... | 著者 | Medrano Martin, F.J, Vila, A.J, Gonzalez, J.M. | 登録日 | 2006-11-23 | 公開日 | 2007-05-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Zn2 position in metallo-beta-lactamases is critical for activity: a study on chimeric metal sites on a conserved protein scaffold. J.Mol.Biol., 373, 2007
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