PDB: 1333 件ウェブページステータス検索Chemie searchBIRD

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7QGZ	Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate 分子名称: Carbonic anhydrase 2, ZINC ION, methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate 著者 Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-12-10 公開日 2022-05-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
7QGY	Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid 分子名称: 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, ZINC ION 著者 Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-12-10 公開日 2022-05-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
7QGX	Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid 分子名称: 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, MALONATE ION, ... 著者 Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-12-10 公開日 2022-05-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
7QNV	human carbonic anhydrase II bound to 3-methylbenzoselenoate 分子名称: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2021-12-22 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.278 Å) 主引用文献 Benzoselenoates: A novel class of carbonic anhydrase inhibitors. Bioorg.Chem., 122, 2022
7QOB	Human Carbonic Anhydrase I in complex with benzoselenoate 分子名称: Carbonic anhydrase 1, ZINC ION, benzoselenoate 著者 Angeli, A, Ferraroni, M. 登録日 2021-12-23 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Benzoselenoates: A novel class of carbonic anhydrase inhibitors. Bioorg.Chem., 122, 2022
7QSI	human Carbonic Anhydrase II in complex with indoline-1-sulfonamide 分子名称: 2,3-dihydroindole-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-01-13 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.304 Å) 主引用文献 Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile. J Enzyme Inhib Med Chem, 37, 2022
7QSE	human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-01-13 公開日 2023-01-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.428 Å) 主引用文献 human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide To Be Published
7QRK	Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide 分子名称: Carbonic anhydrase 2, GLYCEROL, N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-01-11 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.428 Å) 主引用文献 Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide To Be Published
7QZX	Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide 分子名称: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-02-01 公開日 2023-02-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
7R1X	human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide 分子名称: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-02-03 公開日 2023-02-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
7RNZ	Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative 分子名称: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ... 著者 Combs, J, McKenna, R. 登録日 2021-07-30 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.3 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
7RNY	Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative 分子名称: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Combs, J, McKenna, R. 登録日 2021-07-30 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.29 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
7RRF	Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C 分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, McKenna, R. 登録日 2021-08-09 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C To Be Published
7RRE	Carbonic Anhydrase II in complex with Beta-Galactose-2C 分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, GLYCEROL, ... 著者 McKenna, R, Combs, J.E. 登録日 2021-08-09 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C To Be Published
7SV8	Carbonic Anhydrase IX-mimic 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, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.388 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SV1	Carbonic Anhydrase IX-mimic 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, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.559 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SUW	Carbonic Anhydrase IX-mimic 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-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 McKenna, R, Combs, J.E. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.456 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SUY	Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.405 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
2IT4	X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet 分子名称: Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION 著者 Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T. 登録日 2006-10-19 公開日 2007-09-11 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I. Bioorg.Med.Chem.Lett., 17, 2007
5N24	Crystal structure of human carbonic anhydrase II in complex with the inhibitor b4'-Cyano-biphenyl-4-sulfonic acid amide 分子名称: 4-(4-cyanophenyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F. 登録日 2017-02-07 公開日 2017-12-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms Inorg.Chim.Acta., 470, 2018
5N0E	Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. 分子名称: 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Di Fiore, A, De Simone, G. 登録日 2017-02-02 公開日 2017-05-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides. J. Med. Chem., 60, 2017
5N1R	Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4'-Pyrazol-1-ylmethyl-biphenyl-4-sulfonamide 分子名称: 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F. 登録日 2017-02-06 公開日 2017-12-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms Inorg.Chim.Acta., 470, 2018
5NEA	Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide 分子名称: 1,2-ETHANEDIOL, 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Ferraroni, M, Supuran, C.T, Krasavin, M. 登録日 2017-03-10 公開日 2017-12-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads. Bioorg. Med. Chem., 25, 2017
5NEE	Crystal structure of human carbonic anhydrase II in complex with the inhibitor 5-[2-(morpholine-4-carbonyl)1,3-oxazol-5-yl)]thiophene-2-sulfonammide 分子名称: 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C.T, Krasavin, M. 登録日 2017-03-10 公開日 2017-12-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads. Bioorg. Med. Chem., 25, 2017
5NXM	Carbonic Anhydrase II Inhibitor RA1 分子名称: 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide, Carbonic anhydrase 2, ZINC ION 著者 Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. 登録日 2017-05-10 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018

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