5JGS
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![BU of 5jgs by Molmil](/molmil-images/mine/5jgs) | Human carbonic anhydrase II (F131Y/L198A) complexed with benzo[d]thiazole-2-sulfonamide | 分子名称: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | 登録日 | 2016-04-20 | 公開日 | 2017-01-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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4E3F
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3HKN
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![BU of 3hkn by Molmil](/molmil-images/mine/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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4FIK
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![BU of 4fik by Molmil](/molmil-images/mine/4fik) | Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products | 分子名称: | 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ... | 著者 | Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R. | 登録日 | 2012-06-08 | 公開日 | 2012-06-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II. J Phys Chem Lett, 1, 2010
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5M78
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![BU of 5m78 by Molmil](/molmil-images/mine/5m78) | Human Carbonic Anhydrase II in complex with fragment-like inhibitor. | 分子名称: | 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2016-10-27 | 公開日 | 2017-12-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.077 Å) | 主引用文献 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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4YGF
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![BU of 4ygf by Molmil](/molmil-images/mine/4ygf) | Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with acetazolamide | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ... | 著者 | Roujeinikova, A, Modak, J.K. | 登録日 | 2015-02-26 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides. Plos One, 10, 2015
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5LLO
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![BU of 5llo by Molmil](/molmil-images/mine/5llo) | Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hy-droxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2016-07-28 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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5NEA
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![BU of 5nea by Molmil](/molmil-images/mine/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
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8CR0
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![BU of 8cr0 by Molmil](/molmil-images/mine/8cr0) | Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor | 分子名称: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2023-03-07 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography. J.Med.Chem., 66, 2023
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3IGP
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![BU of 3igp by Molmil](/molmil-images/mine/3igp) | Structure of inhibitor binding to Carbonic Anhydrase II | 分子名称: | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Gitto, R, Agnello, S, Brynda, J, Mader, P, Supuran, C.T, Chimirri, A. | 登録日 | 2009-07-28 | 公開日 | 2010-03-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme-Ligand X-ray Studies. J.Med.Chem., 2010
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5LLP
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![BU of 5llp by Molmil](/molmil-images/mine/5llp) | Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2016-07-28 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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8CO3
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8CO0
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5N0E
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![BU of 5n0e by Molmil](/molmil-images/mine/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
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5NEE
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![BU of 5nee by Molmil](/molmil-images/mine/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
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1TTM
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![BU of 1ttm by Molmil](/molmil-images/mine/1ttm) | Human carbonic anhydrase II complexed with 667-coumate | 分子名称: | 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE, Carbonic anhydrase II, ZINC ION | 著者 | Lloyd, M.D, Pederick, R.L, Natesh, R, Woo, L.W.L, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L. | 登録日 | 2004-06-23 | 公開日 | 2004-10-05 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of human carbonic anhydrase II at 1.95 A resolution in complex with 667-coumate, a novel anti-cancer agent Biochem.J., 385, 2005
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5N0D
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![BU of 5n0d by Molmil](/molmil-images/mine/5n0d) | Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | 分子名称: | (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 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 (1.7 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
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7BM4
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![BU of 7bm4 by Molmil](/molmil-images/mine/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
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1UGB
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1UGF
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4WW6
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![BU of 4ww6 by Molmil](/molmil-images/mine/4ww6) | Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | 分子名称: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-11-10 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
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5HPJ
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![BU of 5hpj by Molmil](/molmil-images/mine/5hpj) | Photobacterium profundum alpha-carbonic anhydrase | 分子名称: | CHLORIDE ION, Carbonic anhydrase, ZINC ION | 著者 | Somalinga, V, Buhrman, G. | 登録日 | 2016-01-20 | 公開日 | 2016-12-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A High-Resolution Crystal Structure of a Psychrohalophilic alpha-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface. PLoS ONE, 11, 2016
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4WR7
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![BU of 4wr7 by Molmil](/molmil-images/mine/4wr7) | Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide. | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, ACETATE ION, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-10-23 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
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3HKQ
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![BU of 3hkq by Molmil](/molmil-images/mine/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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4WUP
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![BU of 4wup by Molmil](/molmil-images/mine/4wup) | Crystal structure of human carbonic anhydrase isozyme I with 4-[(2-Hydroxyethyl)thio]benzenesulfonamide | 分子名称: | 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-11-03 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
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