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

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4E3G	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors 分子名称: Carbonic anhydrase 2, GLYCEROL, 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 (1.55 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
4JSW	Human carbonic anhydrase II H94C 分子名称: Carbonic anhydrase 2, ZINC ION 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
6YZL	Closo-carborane methyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Carborane methyl-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 (1.2 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
6YZP	Carborane nido-hexyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Carborane nido-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 (1.35 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
6YZV	Closo-carborane ethyl-sulfonamide in complex with CA II 分子名称: Carbonic anhydrase 2, Carborane ethyl-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 (1.65 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
4ETQ	Vaccinia virus D8L IMV envelope protein in complex with Fab of murine IgG2a LA5 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... 著者 Matho, M.H, Zajonc, D.M. 登録日 2012-04-24 公開日 2012-06-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5. J.Virol., 86, 2012
4JSA	Benzenesulfonamide complexed with hCAII H94D 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ... 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 (1.5 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
6YO7	Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Ortho-Carborane di-propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
6YQT	CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE 分子名称: 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Alterio, V, De Simone, G, Esposito, D. 登録日 2020-04-18 公開日 2020-07-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
4E4A	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors 分子名称: 2-sulfanylbenzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Cohen, S.M, Martin, D.P. 登録日 2012-03-12 公開日 2012-06-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 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
6YO2	Meta-Carborane propyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
4FVO	Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-29 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
6XXT	The crystal structure of hCA II in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative. 分子名称: 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Di Fiore, A, De Simone, G. 登録日 2020-01-28 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms. Acs Med.Chem.Lett., 11, 2020
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
4FL7	The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide 分子名称: BENZHYDROXAMIC ACID, Carbonic anhydrase 2, GLYCEROL, ... 著者 Di Fiore, A, De Simone, G. 登録日 2012-06-14 公開日 2012-08-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 48, 2012
4FPT	Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-22 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
6YMA	MicroED structure of acetazolamide-bound human carbonic anhydrase II 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. 登録日 2020-04-08 公開日 2020-08-12 最終更新日 2024-01-24 実験手法 ELECTRON CRYSTALLOGRAPHY (2.5 Å) 主引用文献 Visualizing drug binding interactions using microcrystal electron diffraction. Commun Biol, 3, 2020
6XZO	Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-bromo-2-hydroxybenzyl)amino)ethyl)ureido) benzenesulfonamide 分子名称: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)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 2020-02-05 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.44 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
6Y74	X-ray crystal structure of human carbonic anhydrase IX catalytic domain. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... 著者 Fisher, S.Z, Koruza, K. 登録日 2020-02-28 公開日 2020-08-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Biophysical Characterization of Cancer-Related Carbonic Anhydrase IX Int J Mol Sci, 21, 2020
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
6YZK	Carborane closo-pentyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Carborane closo-pentyl-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 (0.99 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
6YZR	Carborane nido-butyl-sulfonamide in complex with CA II 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 (1.2 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
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
6YO4	Para-Carborane propyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
6YOK	Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Para-Carborane di-propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020

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