PDB: 1553 件ウェブページステータス検索Chemie searchBIRD

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4YXO	Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). 分子名称: 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-23 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
4YYT	Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5). 分子名称: 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-24 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
5LLO	Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hy-droxyethyl)sulfonyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... 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 correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
4ZWX	Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor 分子名称: (1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. 登録日 2015-05-19 公開日 2015-10-28 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.696 Å) 主引用文献 Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
5LLP	Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-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 2016-07-28 公開日 2017-08-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
3M2N	Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide 分子名称: 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-03-08 公開日 2011-02-16 最終更新日 2023-11-01 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
4QJO	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor 分子名称: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, 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 (1.8 Å) 主引用文献 Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4YXI	Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). 分子名称: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-23 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (0.96 Å) 主引用文献 Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
4QJX	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-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-06-05 公開日 2015-04-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4YXU	Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4). 分子名称: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-23 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
4ZWY	Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor 分子名称: (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. 登録日 2015-05-19 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
4ZX1	Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor 分子名称: (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. 登録日 2015-05-20 公開日 2015-10-28 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.501 Å) 主引用文献 Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates J. Med. Chem., 58, 2015
1G5C	CRYSTAL STRUCTURE OF THE 'CAB' TYPE BETA CLASS CARBONIC ANHYDRASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-CARBONIC ANHYDRASE, CALCIUM ION, ... 著者 Strop, P, Smith, K.S, Iverson, T.M, Ferry, J.G, Rees, D.C. 登録日 2000-10-31 公開日 2001-04-04 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of the "cab"-type beta class carbonic anhydrase from the archaeon Methanobacterium thermoautotrophicum. J.Biol.Chem., 276, 2001
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
4QJW	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor 分子名称: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-06-05 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
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
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
1YDA	STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... 著者 Nair, S.K, Christianson, D.W. 登録日 1994-12-22 公開日 1995-02-14 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis of inhibitor affinity to variants of human carbonic anhydrase II. Biochemistry, 34, 1995
1YDB	STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... 著者 Nair, S.K, Christianson, D.W. 登録日 1994-12-22 公開日 1995-02-14 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of inhibitor affinity to variants of human carbonic anhydrase II. Biochemistry, 34, 1995
6FE0	Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. 分子名称: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2017-12-28 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget, 9, 2018
5LJT	Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor 分子名称: 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C. 登録日 2016-07-19 公開日 2017-06-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations. J. Med. Chem., 59, 2016
5J8Z	Human carbonic anhydrase II in complex with ligand 分子名称: (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, (2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, Carbonic anhydrase 2, ... 著者 Alterio, V, De Simone, G. 登録日 2016-04-08 公開日 2016-06-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1,6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors. Bioorg.Med.Chem., 24, 2016
5LJQ	Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor 分子名称: 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C. 登録日 2016-07-19 公開日 2017-06-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations. J. Med. Chem., 59, 2016
6FE1	Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. 分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2017-12-28 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget, 9, 2018
3PO6	Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide 分子名称: (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, ACETATE ION, ... 著者 Mader, P, Brynda, J, Gitto, R, Agnello, S, Ferro, S, De Luca, L, Vullo, D, Supuran, C.T, Chimirri, A. 登録日 2010-11-22 公開日 2011-04-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides. J.Med.Chem., 54, 2011

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