PDB: 1335 件ウェブページステータス検索Chemie searchBIRD

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4ITP	Structure of human carbonic anhydrase II bound to a benzene sulfonamide 分子名称: 2-phenyl-N-(4-sulfamoylbenzyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Biswas, S, McKenna, R. 登録日 2013-01-18 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.697 Å) 主引用文献 Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition. Bioorg.Med.Chem., 21, 2013
4IWZ	structure of hCAII in complex with an acetazolamide derivative 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Biswas, S, McKenna, R. 登録日 2013-01-24 公開日 2013-12-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.598 Å) 主引用文献 Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII. Bioorg.Med.Chem.Lett., 23, 2013
4KNM	Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide 分子名称: 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 13, TRIETHYLENE GLYCOL, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4KAP	The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand 分子名称: 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Lange, H, Lockett, M.R, Breiten, B, Heroux, A, Sherman, W, Rappoport, D, Yau, P.O, Snyder, P.W, Whitesides, G.M. 登録日 2013-04-22 公開日 2013-07-10 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand. Angew.Chem.Int.Ed.Engl., 52, 2013
4KNN	Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, ACETIC ACID, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.404 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4KUY	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(o-tolylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4KV0	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies. Bioorg.Med.Chem., 22, 2014
4KUV	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4L5W	Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Boone, C.D, Gill, S, McKenna, R. 登録日 2013-06-11 公開日 2014-04-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
4KUW	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
5L9E	CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER 分子名称: 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ... 著者 Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. 登録日 2016-06-10 公開日 2017-06-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER To Be Published
5KU6	Crystal structure for the complex of human carbonic anhydrase IV and methazolamide 分子名称: ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... 著者 Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. 登録日 2016-07-12 公開日 2017-07-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
5L3O	Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer 分子名称: 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... 著者 Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. 登録日 2016-05-24 公開日 2017-03-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
1F2W	THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION 分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ... 著者 Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S. 登録日 2000-05-30 公開日 2000-06-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction. Biochemistry, 39, 2000
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
5LL9	Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, 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 (1.45 Å) 主引用文献 Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
5LL8	Human Carbonic Anhydrase II in complex with aliphatic Benzenesulfonamide inhibitor. 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-butylbenzenesulfonamide, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 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 (1.03 Å) 主引用文献 Crystallographic, kinetic and thermodynamic characterization of aliphatic Benzenesulfonamides as Ligands of human Carbonic Anhydrase II To Be Published
5LLA	Crystal structure of human carbonic anhydrase isozyme XIII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, CITRIC ACID, ... 著者 Smirnov, A, Manakova, E, 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 (1.5 Å) 主引用文献 Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
5LL5	Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2016-07-26 公開日 2017-08-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
5LVS	Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries 分子名称: 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... 著者 Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y. 登録日 2016-09-14 公開日 2017-03-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
1FQM	X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT 分子名称: CARBONIC ANHYDRASE, MERCURY (II) ION, ZINC ION 著者 Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. 登録日 2000-09-06 公開日 2001-01-17 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000
5THJ	Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 分子名称: 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... 著者 Dick, B, Cohen, S. 登録日 2016-09-29 公開日 2017-04-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
1FQN	X-RAY CRYSTAL STRUCTURE OF METAL-FREE F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT 分子名称: CARBONIC ANHYDRASE 著者 Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. 登録日 2000-09-06 公開日 2001-01-17 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000
5U0G	Identification of a New Zinc Binding Chemotype by Fragment Screening 分子名称: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... 著者 Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. 登録日 2016-11-23 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
1FSQ	X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT 分子名称: CARBONIC ANHYDRASE II, COBALT (II) ION 著者 Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. 登録日 2000-09-11 公開日 2001-01-17 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000

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