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

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5W8B	Carbonic anhydrase II in complex with activating histamine pyridinium derivative 分子名称: 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ... 著者 Bhatt, A, Ilies, M, McKenna, R. 登録日 2017-06-21 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function. Mol. Neurobiol., 55, 2018
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
8Q0C	Human carbonic anhydrase II containing 3-fluorotyrosine 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION 著者 Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. 登録日 2023-07-28 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Controlling the incorporation of fluorinated amino acids in human cells and its structural impact. Protein Sci., 33, 2024
7BI5	Human CA II in complex with benzyl alcohol 分子名称: Carbonic anhydrase 2, ZINC ION, phenylmethanol 著者 Alterio, V, De Simone, G. 登録日 2021-01-12 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Benzyl alcohol inhibits carbonic anhydrases by anchoring to the zinc coordinated water molecule. Biochem.Biophys.Res.Commun., 548, 2021
7BFA	4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II 分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2021-01-02 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7BG5	4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II 分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2021-01-05 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.428 Å) 主引用文献 Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
8Q18	The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide 分子名称: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... 著者 Leitans, J, Tars, K. 登録日 2023-07-31 公開日 2023-11-08 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
8Q19	The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide 分子名称: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... 著者 Leitans, J, Tars, K. 登録日 2023-07-31 公開日 2023-11-08 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
8Q1A	The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor 分子名称: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... 著者 Leitans, J, Tars, K. 登録日 2023-07-31 公開日 2023-11-08 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
7BM4	Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulphamoylphenyl)selenourea 分子名称: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ... 著者 Ferraroni, M, Angeli, A, Supuran, C.T. 登録日 2021-01-19 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7BHH	4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Angeli, A, Ferraroni, M. 登録日 2021-01-11 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
8SD6	Carbonic anhydrase II radiation damage RT 31-60 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.397 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SD9	Carbonic anhydrase II radiation damage RT 121-150 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.904 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SAG	Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57 分子名称: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Combs, J.E, Mckenna, R. 登録日 2023-03-31 公開日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides To Be Published
8SAF	CA II in complex with the coumarin benzene sulfonamide SG1-51 分子名称: 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-03-31 公開日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 CA in complex with novel coumarin benzene sulfonamides To Be Published
8R1I	Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide 分子名称: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Kotschy, J, Gasper, R, Linser, R. 登録日 2023-11-02 公開日 2023-12-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein. Angew.Chem.Int.Ed.Engl., 63, 2024
7CA2	ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Nair, S.K, Christianson, D.W. 登録日 1991-07-09 公開日 1992-07-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Engineering the hydrophobic pocket of carbonic anhydrase II. Biochemistry, 30, 1991
7ASJ	Crystal structure for the complex of human carbonic anhydrase II and 3-(3-methyl-3-phenethylureido)benzenesulfonamide 分子名称: 3-(3-methyl-3-phenethylureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2020-10-27 公開日 2021-11-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes. J.Med.Chem., 65, 2022
7A6V	Human Carbonic Anhydrase II in complex with 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide 分子名称: 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2020-08-26 公開日 2021-10-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Calixarenes Incorporating Sulfonamide Moieties: Versatile Ligands for Carbonic Anhydrases Inhibition. Chemistry, 28, 2022
7AEQ	Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide 分子名称: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ... 著者 Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-09-18 公開日 2021-09-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
7AES	Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide 分子名称: 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... 著者 Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-09-18 公開日 2021-09-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
7AGN	Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide 分子名称: 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ... 著者 Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-09-23 公開日 2021-09-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
8SD8	Carbonic anhydrase II radiation damage RT 91-120 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.789 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SD7	Carbonic anhydrase II radiation damage RT 61-90 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.704 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024

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