7M23
| Human carbonic anhydrase II in complex with troglitazone | 分子名称: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION | 著者 | Mueller, S.L, Peat, T.S. | 登録日 | 2021-03-16 | 公開日 | 2022-02-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening. Molecules, 26, 2021
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7MU3
| human carbonic anhydrase 9 mimic with compound | 分子名称: | Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ... | 著者 | Peat, T.S. | 登録日 | 2021-05-14 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors. Bioorg.Med.Chem.Lett., 49, 2021
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7SUY
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7SUW
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7SV1
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7SV8
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7NC4
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7NH6
| Crystal structure of human carbonic anhydrase II with 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide | 分子名称: | 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Angeli, A, Ferraroni, M. | 登録日 | 2021-02-10 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors. J.Med.Chem., 64, 2021
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7NH8
| Crystal structure of human carbonic anhydrase II with N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide | 分子名称: | Carbonic anhydrase 2, N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide, ZINC ION | 著者 | Angeli, A, Ferraroni, M. | 登録日 | 2021-02-10 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.369 Å) | 主引用文献 | Synthesis of Azasugar-Sulfonamide conjugates and their Evaluation as Inhibitors of Carbonic Anhydrases: the Azasugar Approach to Selectivity Eur.J.Org.Chem., 2021
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7NTB
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7NWY
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5J8Z
| Human carbonic anhydrase II in complex with ligand | 分子名称: | (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, (2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, Carbonic anhydrase 2, ... | 著者 | Alterio, V, De Simone, G. | 登録日 | 2016-04-08 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1,6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors. Bioorg.Med.Chem., 24, 2016
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3HKN
| Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide | 分子名称: | 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose-(1-4)-(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Paul, B, Poulsen, S.-A, Hofmann, A. | 登録日 | 2009-05-25 | 公開日 | 2009-10-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
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3HKQ
| Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide | 分子名称: | (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Paul, B, Poulsen, S.-A, Hofmann, A. | 登録日 | 2009-05-25 | 公開日 | 2009-10-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
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3HKU
| Human carbonic anhydrase II in complex with topiramate | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | 著者 | Paul, B, Poulsen, S.-A, Hofmann, A. | 登録日 | 2009-05-25 | 公開日 | 2009-10-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
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3HKT
| Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide | 分子名称: | Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol | 著者 | Paul, B, Poulsen, S.-A, Hofmann, A. | 登録日 | 2009-05-25 | 公開日 | 2009-10-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
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3HLJ
| Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide | 分子名称: | 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide, Carbonic anhydrase 2, SODIUM ION, ... | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | 登録日 | 2009-05-27 | 公開日 | 2010-03-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides J Enzyme Inhib Med Chem, 25, 2010
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5JQT
| Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 | 分子名称: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | 著者 | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | 登録日 | 2016-05-05 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
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8DQF
| Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | 分子名称: | Carbonic anhydrase, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, SULFATE ION, ... | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | 登録日 | 2022-07-19 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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8DPC
| Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae | 分子名称: | Carbonic anhydrase, SULFATE ION, ZINC ION | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | 登録日 | 2022-07-15 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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8DRB
| Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | 分子名称: | 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ... | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | 登録日 | 2022-07-20 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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8DR2
| Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | 分子名称: | 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, Carbonic anhydrase, SULFATE ION, ... | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | 登録日 | 2022-07-20 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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5JQ0
| Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7 | 分子名称: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION | 著者 | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | 登録日 | 2016-05-04 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
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8DYQ
| Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | 登録日 | 2022-08-04 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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5LMD
| The crystal structure of hCA II in complex with a benzoxaborole inhibitor | 分子名称: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION | 著者 | De Simone, G, Alterio, V, Esposito, D, Di Fiore, A. | 登録日 | 2016-07-29 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
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