PDB: 1348 件ウェブページステータス検索Chemie searchBIRD

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6QFW	Human carbonic anhydrase II with bound IrCp* complex (cofactor 9) to generate an artificial transfer hydrogenase (ATHase) 分子名称: 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide, Carbonic anhydrase 2, IRIDIUM ION, ... 著者 Rebelein, J.G. 登録日 2019-01-10 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
6QFV	Human carbonic anhydrase II with bound IrCp* complex (cofactor 8) to generate an artificial transfer hydrogenase (ATHase) 分子名称: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ... 著者 Rebelein, J.G. 登録日 2019-01-10 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
6QFU	Human carbonic anhydrase II with bound IrCp* complex (cofactor 7) to generate an artificial transfer hydrogenase (ATHase) 分子名称: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ... 著者 Rebelein, J.G. 登録日 2019-01-10 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
6QFX	Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase) 分子名称: 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, SULFATE ION, ... 著者 Rebelein, J.G. 登録日 2019-01-10 公開日 2019-04-17 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
6NM0	Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines 分子名称: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Singh, S, McKenna, R. 登録日 2019-01-10 公開日 2020-01-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer. J.Med.Chem., 64, 2021
6QL3	Crystal structure of chimeric carbonic anhydrase VI with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BENZOIC ACID, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-01-31 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
6QL2	Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide. 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-01-31 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
6QL1	Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, BICINE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-01-31 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
6QN2	Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 分子名称: Carbonic anhydrase 9, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate 著者 Leitans, J, Tars, K. 登録日 2019-02-08 公開日 2020-02-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6QN0	Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide 分子名称: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide 著者 Dvinskis, E, Leitans, J, Tars, K. 登録日 2019-02-08 公開日 2020-02-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6QN6	Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 分子名称: Carbonic anhydrase 9, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide 著者 Leitans, J, Tars, K. 登録日 2019-02-09 公開日 2020-02-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6QN5	Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 分子名称: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2019-02-09 公開日 2020-02-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6QNG	Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide 分子名称: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide 著者 Dvinskis, E, Leitans, J, Tars, K. 登録日 2019-02-11 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide To Be Published
6QNL	Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide 分子名称: Carbonic anhydrase 12, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate 著者 Dvinskis, E, Leitans, J, Tars, K. 登録日 2019-02-11 公開日 2020-03-04 最終更新日 2021-10-06 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6QQM	Crystal structure of the alpha carbonic anhydrase from Schistosoma mansoni 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Putative carbonic anhydrase, ... 著者 Ferraroni, M, Angeli, A, Supuran, C.T. 登録日 2019-02-18 公開日 2019-11-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
6QUT	Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 分子名称: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2019-02-28 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6R6J	Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-03-27 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6OE0	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects 分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Peat, T.S. 登録日 2019-03-27 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
6OE1	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects 分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Peat, T.S. 登録日 2019-03-27 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
6ODZ	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects 分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Peat, T.S. 登録日 2019-03-27 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
6R6F	Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide 分子名称: 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-03-27 公開日 2019-12-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6R6Y	Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide 分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-03-28 公開日 2020-04-08 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6R71	Crystal structure of human carbonic anhydrase isozyme XII with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide 分子名称: 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-03-28 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
6RFH	Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-sulfamoylbenzoic acid, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-04-15 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.969 Å) 主引用文献 Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide To Be Published
6RG5	Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-04-16 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.089 Å) 主引用文献 Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide To Be Published

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