PDB: 1334 件ウェブページステータス検索Chemie searchBIRD

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4WW8	Crystal structure of human carbonic anhydrase isozyme XII with 4-Propylthiobenzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 4-(propylsulfanyl)benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-11-10 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
4WW6	Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide 分子名称: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-11-10 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
4WUQ	Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-piperidin-1-ylbenzenesulfonamide 分子名称: 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide, Carbonic anhydrase 1, DI(HYDROXYETHYL)ETHER, ... 著者 Manakova, E, Smirnov, A, Grazulis, S. 登録日 2014-11-03 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
4WUP	Crystal structure of human carbonic anhydrase isozyme I with 4-[(2-Hydroxyethyl)thio]benzenesulfonamide 分子名称: 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-11-03 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
4WR7	Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide. 分子名称: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, ACETATE ION, ... 著者 Manakova, E, Smirnov, A, Grazulis, S. 登録日 2014-10-23 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
4WL4	Crystal structure of human carbonic anhydrase II in complex with the 6-hydroxy-chromene-2-thione inhibitor 分子名称: 1,2-ETHANEDIOL, 6-hydroxy-2H-chromene-2-thione, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2014-10-06 公開日 2015-10-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4UOV	The structure of a tetrameric alpha-carbonic anhydrase from Thermovibrio ammonificans reveals a core formed around intermolecular disulfides, which contribute to its thermostability. 分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... 著者 James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J. 登録日 2014-06-10 公開日 2014-10-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability Acta Crystallogr.,Sect.D, 70, 2014
4TWM	Crystal structure of dioscorin from Dioscorea japonica 分子名称: Dioscorin 5, SULFATE ION 著者 Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. 登録日 2014-07-01 公開日 2015-04-01 最終更新日 2020-01-29 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
4TWL	Crystal structure of dioscorin complexed with ascorbate 分子名称: ASCORBIC ACID, Dioscorin 5, SULFATE ION 著者 Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. 登録日 2014-07-01 公開日 2015-04-01 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
4RUZ	Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide 分子名称: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Pinard, M.A, Mckenna, R. 登録日 2014-11-23 公開日 2015-04-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg.Med.Chem., 23, 2015
4RUY	Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide 分子名称: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Pinard, M.A, Mckenna, R. 登録日 2014-11-23 公開日 2015-04-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg.Med.Chem., 23, 2015
4RUX	Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide 分子名称: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Pinard, M.A, Mckenna, R. 登録日 2014-11-23 公開日 2015-04-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg.Med.Chem., 23, 2015
4RN4	Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety 分子名称: 2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B, Tanpure, R, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. 登録日 2014-10-22 公開日 2015-01-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site. J.Med.Chem., 58, 2015
4RIV	A Carbonic Anhydrase IX Mimic in Complex with Saccharin 分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, McKenna, R. 登録日 2014-10-07 公開日 2015-02-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.631 Å) 主引用文献 Saccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors. Bioorg.Med.Chem., 23, 2015
4RIU	A Carbonic Anhydrase IX Mimic in Complex with a Saccharin-Based Inhibitor 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Mahon, B.P, McKenna, R. 登録日 2014-10-07 公開日 2015-02-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.651 Å) 主引用文献 Saccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors. Bioorg.Med.Chem., 23, 2015
4RH2	Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid 分子名称: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M. 登録日 2014-10-01 公開日 2015-11-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4RFD	Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium 分子名称: 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ... 著者 Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. 登録日 2014-09-25 公開日 2015-04-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.631 Å) 主引用文献 A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
4RFC	Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate 分子名称: Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate 著者 Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. 登録日 2014-09-25 公開日 2015-04-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.645 Å) 主引用文献 A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
4R5B	Human Carbonic Anhydrase II in Complex with a Carbohydrate-Based Sulfamate 分子名称: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, McKenna, R. 登録日 2014-08-20 公開日 2014-10-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem., 57, 2014
4R5A	A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate 分子名称: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, McKenna, R. 登録日 2014-08-20 公開日 2014-10-15 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem., 57, 2014
4R59	A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate 分子名称: (1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, McKenna, R. 登録日 2014-08-20 公開日 2014-10-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem., 57, 2014
4QY3	THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID 分子名称: 2-[(S)-benzylsulfinyl]benzoic acid, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... 著者 D'Ambrosio, K, De Simone, G. 登録日 2014-07-23 公開日 2014-12-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Out of the active site binding pocket for carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 51, 2014
4QTL	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-07-08 公開日 2015-04-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QSJ	Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, CITRIC ACID, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-07-04 公開日 2015-01-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014
4QSI	Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ... 著者 Manakova, E, Smirnov, A, Grazulis, S. 登録日 2014-07-04 公開日 2015-01-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014

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