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
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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
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5LLH
| Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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5OGJ
| Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2017-07-13 | 公開日 | 2018-08-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide To be published
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5LLE
| Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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5LLC
| Crystal structure of human carbonic anhydrase isozyme II with 3-(Methylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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5E2N
| Crystal structure of human carbonic anhydrase isozyme XIII 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, CITRIC ACID, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2015-10-01 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
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5E2M
| Crystal structure of human carbonic anhydrase isozyme I with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2015-10-01 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
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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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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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4QJ0
| Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII 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 12, ... | 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
| 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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4QIY
| Crystal structure of human carbonic anhydrase isozyme II with inhibitor | 分子名称: | 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | 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 (1.3 Å) | 主引用文献 | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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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
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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 | 2024-01-24 | 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
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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
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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
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2FQZ
| Metal-depleted Ecl18kI in complex with uncleaved DNA | 分子名称: | DNA STRAND 1, DNA STRAND 2, R.Ecl18kI | 著者 | Bochtler, M, Szczepanowski, R.H, Tamulaitis, G, Grazulis, S, Czapinska, H, Manakova, E, Siksnys, V. | 登録日 | 2006-01-18 | 公開日 | 2006-06-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nucleotide flips determine the specificity of the Ecl18kI restriction endonuclease Embo J., 25, 2006
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5IPZ
| Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide | 分子名称: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide, Carbonic anhydrase 4, ZINC ION | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2016-03-10 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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5OS9
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1XCK
| Crystal structure of apo GroEL | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 60 kDa chaperonin, DI(HYDROXYETHYL)ETHER, ... | 著者 | Bartolucci, C, Lamba, D, Grazulis, S, Manakova, E, Heumann, H. | 登録日 | 2004-09-02 | 公開日 | 2005-10-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Crystal structure of wild-type chaperonin GroEL J.Mol.Biol., 354, 2005
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2GB7
| Metal-depleted Ecl18kI in complex with uncleaved, modified DNA | 分子名称: | DNA STRAND 1, DNA STRAND 2, R.Ecl18kI | 著者 | Bochtler, M, Szczepanowski, R.H, Tamulaitis, G, Grazulis, S, Czapinska, H, Manakova, E, Siksnys, V. | 登録日 | 2006-03-10 | 公開日 | 2006-06-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Nucleotide flips determine the specificity of the Ecl18kI restriction endonuclease Embo J., 25, 2006
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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
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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
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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
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