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

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7PUV	Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate 分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-09-30 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
7Q0D	Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ... 著者 Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-10-14 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
7Q0C	Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate 分子名称: ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-10-14 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
7PP9	Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide 分子名称: Carbonic anhydrase 12, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate 著者 Leitans, J, Tars, K, Dvinskis, E. 登録日 2021-09-13 公開日 2022-09-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
7PLF	Human Carbonic Anhydrase I in complex with clorsulon 分子名称: 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase 1, ZINC ION 著者 Angeli, A, Ferraroni, M. 登録日 2021-08-31 公開日 2022-09-07 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.461 Å) 主引用文献 Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies. Acta Crystallogr D Struct Biol, 78, 2022
7PRI	Carbonic Anhydrase from Schistosoma Mansoni in complex with clorsulon 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase, ... 著者 Angeli, A, Ferraroni, M. 登録日 2021-09-21 公開日 2022-10-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.679 Å) 主引用文献 Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies. Acta Crystallogr D Struct Biol, 78, 2022
7QBH	Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II) 分子名称: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol 著者 Angeli, A, Ferraroni, M. 登録日 2021-11-19 公開日 2022-03-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.223 Å) 主引用文献 Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition. Chemmedchem, 17, 2022
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
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
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
12CA	ALTERING THE MOUTH OF A HYDROPHOBIC POCKET. STRUCTURE AND KINETICS OF HUMAN CARBONIC ANHYDRASE II MUTANTS AT RESIDUE VAL-121 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Nair, S.K, Christianson, D.W. 登録日 1991-10-01 公開日 1992-10-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Altering the mouth of a hydrophobic pocket. Structure and kinetics of human carbonic anhydrase II mutants at residue Val-121. J.Biol.Chem., 266, 1991
1AM6	CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE 分子名称: ACETOHYDROXAMIC ACID, CARBONIC ANHYDRASE, MERCURY (II) ION, ... 著者 Scolnick, L.R, Clements, A.M, Christianson, D.W. 登録日 1997-06-24 公開日 1998-06-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel Binding Mode of Hydroxamate Inhibitors to Human Carbonic Anhydrase II J.Am.Chem.Soc., 119, 1997
1A42	HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE 分子名称: (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... 著者 Boriack-Sjodin, P.A, Christianson, D.W. 登録日 1998-02-10 公開日 1999-03-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
1AZM	DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COMPLEXED WITH HUMAN CARBONIC ANHYDRASE I 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE I, ZINC ION 著者 Chakravarty, S, Kannan, K.K. 登録日 1993-11-28 公開日 1994-04-30 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Drug-protein interactions. Refined structures of three sulfonamide drug complexes of human carbonic anhydrase I enzyme. J.Mol.Biol., 243, 1994

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