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
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7ZW9
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8C0Q
 | | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | | 分子名称: | (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Alterio, V, De Simone, G, Esposito, D. | | 登録日 | 2022-12-19 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
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8C0R
 | | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | | 分子名称: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | | 著者 | Alterio, V, De Simone, G, Esposito, D. | | 登録日 | 2022-12-19 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
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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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8CO3
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8CO0
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6KFS
 | | Structure of CCM related protein | | 分子名称: | LCIB_C_CA domain-containing protein, ZINC ION | | 著者 | Jin, S, Gao, Y.G. | | 登録日 | 2019-07-08 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural and biochemical characterization of novel carbonic anhydrases from Phaeodactylum tricornutum.
Acta Crystallogr D Struct Biol, 76, 2020
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6H3Q
 | | Crystal structure of human carbonic anhydrase II in complex with the 4-(5-(chloromethyl)-1,3-selenazol-2-yl)benzenesulfonamide | | 分子名称: | 4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Ferraroni, M, Angeli, A, Supuran, C. | | 登録日 | 2018-07-19 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Discovery of new 2, 5-disubstituted 1,3-selenazoles as selective human carbonic anhydrase IX inhibitors with potent anti-tumor activity.
Eur.J.Med.Chem., 157, 2018
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6OE1
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6OE0
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4WL4
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4XE1
 | | Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN | | 分子名称: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | | 著者 | Alterio, V, De Simone, G. | | 登録日 | 2014-12-21 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor.
Org.Biomol.Chem., 13, 2015
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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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4YHA
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5LJQ
 | | Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor | | 分子名称: | 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Ferraroni, M, Supuran, C. | | 登録日 | 2016-07-19 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
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5LJT
 | | Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor | | 分子名称: | 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Ferraroni, M, Supuran, C. | | 登録日 | 2016-07-19 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
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8EV1
 | | Dual Modulators | | 分子名称: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... | | 著者 | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | | 登録日 | 2022-10-19 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
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8EV2
 | | Dual Modulators | | 分子名称: | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ... | | 著者 | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | | 登録日 | 2022-10-19 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
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3CAJ
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5N5J
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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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5O07
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5WLR
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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
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