PDB: 1334 件ウェブページステータス検索Chemie searchBIRD

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6YZO	Carborane closo-hexyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-05-07 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
6YZW	Carborane closo-hexyl-sulfonamide in complex with CA II 分子名称: Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-05-07 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.03 Å) 主引用文献 The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
6WQ4	Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
6WQ5	Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.304 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
6WQ9	Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.305 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
6YZN	Closo-carborane butyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-05-07 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
6YZT	Closo-carborane propyl-sulfonamide in complex with CA II 分子名称: Carbonic anhydrase 2, Carborane propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-05-07 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
6Z04	Nido-carborane butyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-05-07 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
4ILX	Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Biswas, S, McKenna, R. 登録日 2013-01-01 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition. Bioorg.Med.Chem., 21, 2013
6YZS	Carborane closo-pentyl-sulfonamide in complex with CA II 分子名称: Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, SODIUM ION, ... 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-05-07 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
6WQ8	Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.405 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
4IDR	Human Carbonic Anhydrase II Proton Transfer Double Mutant 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Mikulski, R.M, West, D.M. 登録日 2012-12-13 公開日 2012-12-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II. Biochemistry, 52, 2013
6WKA	human carbonic anhydrase II bound to an inhibitor modified with azidothymidine 分子名称: 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine, Carbonic anhydrase 2, ZINC ION 著者 Peat, T.S. 登録日 2020-04-15 公開日 2021-02-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors. J.Med.Chem., 63, 2020
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
4E3F	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors 分子名称: 2,6-DIHYDROXYBENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Cohen, S.M, Martin, D.P. 登録日 2012-03-09 公開日 2012-06-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Chem.Commun.(Camb.), 48, 2012
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
4DZ7	hCA II in complex with novel sulfonamide inhibitors Set D 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Aggarwal, M, McKenna, R. 登録日 2012-02-29 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.491 Å) 主引用文献 hCA II in complex with novel sulfonamide inhibitors Set D To be Published
6XZE	crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide 分子名称: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION 著者 Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. 登録日 2020-02-04 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
6XWZ	Carbonic Anhydrase II-mediated hydrolysis of selenolester 分子名称: GLYCEROL, ZINC ION, benzeneselenol, ... 著者 Angeli, A, Feraroni, M. 登録日 2020-01-24 公開日 2021-02-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Selenolesterase enzyme activity of carbonic anhydrases Chem.Commun.(Camb.), 2020
6XVH	carbonic anhydrase with bound arylsulfonamide- boronic acid 分子名称: (4-sulfamoylphenyl)boronic acid, Carbonic anhydrase 2, ZINC ION 著者 Perez, C, Zhang, B. 登録日 2020-01-22 公開日 2021-02-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An easy to assemble, fully modulable, selectiv and colorimetric artificial bio-sensor for fingerprintting the recognition of neurotransmitters To Be Published
4JSS	Human carbonic anhydrase II H94D bound to a bidentate inhibitor 分子名称: 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Martin, D.P, Hann, Z.S, Cohen, S.M. 登録日 2013-03-22 公開日 2013-06-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
6ZR8	The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II 分子名称: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION 著者 Di Fiore, A, De Simone, G, D'Ambrosio, K. 登録日 2020-07-11 公開日 2021-06-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development New J.Chem., 45, 2021
6ZR9	The crystal structure of the complex of hCAVII with 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide 分子名称: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 7, ZINC ION 著者 D'Ambrosio, K, De Simone, G, Di Fiore, A. 登録日 2020-07-11 公開日 2021-06-16 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development New J.Chem., 45, 2021
4CNW	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture 分子名称: CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION 著者 Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. 登録日 2014-01-25 公開日 2015-02-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4JSZ	Benzenesulfonamide bound to hCAII H94C 分子名称: Carbonic anhydrase 2, ZINC ION, benzenesulfonamide 著者 Martin, D.P, Hann, Z.S, Cohen, S.M. 登録日 2013-03-22 公開日 2013-06-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013

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