3SBH
 
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-06-05 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3SAP
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-butyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-06-03 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3SAX
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(5-ethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | 分子名称: | 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-06-03 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3S8X
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | 分子名称: | 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-05-31 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3SBI
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide | | 分子名称: | 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-06-05 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3S9T
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | 分子名称: | 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-06-02 | | 公開日 | 2012-04-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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5LLN
 | | Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | | 分子名称: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 13, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2016-07-28 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
To be published
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5MSB
 | | Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2017-01-02 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 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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5MSA
 | | Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2017-01-02 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of human carbonic anhydrase
isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
To be published
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5OGO
 | | Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... | | 著者 | Smirnov, A, Manakova, E, 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 (0.99 Å) | | 主引用文献 | Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To be published
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5OHH
 | | Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2017-07-17 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To be published
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7QGY
 | | Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | | 分子名称: | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, ZINC ION | | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Pharmaceuticals, 15, 2022
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7QGX
 | | Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | | 分子名称: | 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, MALONATE ION, ... | | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Pharmaceuticals, 15, 2022
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7QGZ
 | | Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate | | 分子名称: | Carbonic anhydrase 2, ZINC ION, methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate | | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Pharmaceuticals, 15, 2022
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3MHO
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide | | 分子名称: | 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Grazulis, S, Manakova, E, Golovenko, D, Sukackaite, R. | | 登録日 | 2010-04-08 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
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4Q08
 | | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-04-01 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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4Q0L
 | | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | | 分子名称: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-04-02 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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4PZH
 | | Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-03-31 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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4PYX
 | | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-03-28 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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4Q09
 | | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-04-01 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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4Q07
 | | Crystal structure of chimeric carbonic anhydrase IX with inhibitor | | 分子名称: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-04-01 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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4Q06
 | | Crystal structure of chimeric carbonic anhydrase IX with inhibitor | | 分子名称: | 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-04-01 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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4PYY
 | | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | | 分子名称: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-03-28 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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3MHM
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | | 分子名称: | 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | | 登録日 | 2010-04-08 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
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3M96
 | | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide | | 分子名称: | 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | | 登録日 | 2010-03-20 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
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