8BJX
 
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7SUW
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7SV1
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7SV8
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8BOE
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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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8CA2
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4Y0J
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4XFW
 | | Crystal structure of the monoclinic form of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori | | 分子名称: | ACETIC ACID, Alpha-carbonic anhydrase, CHLORIDE ION, ... | | 著者 | Compostella, M.E, Vallese, F, Berto, P, Zanotti, G. | | 登録日 | 2014-12-29 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.517 Å) | | 主引用文献 | Structure of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori.
Acta Crystallogr.,Sect.F, 71, 2015
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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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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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5Y2R
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7ZL5
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7ZL6
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7ZWB
 | | human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide | | 分子名称: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome.
J.Med.Chem., 66, 2023
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5Y2S
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8B29
 | | Human carbonic anhydrase II containing 6-fluorotryptophanes. | | 分子名称: | Carbonic anhydrase 2, ZINC ION | | 著者 | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | | 登録日 | 2022-09-13 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy.
J.Am.Chem.Soc., 145, 2023
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5YUK
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8AAE
 | | CAII in complex with para-carboran-propylsulfonamid | | 分子名称: | Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION | | 著者 | Brynda, J, Rezacova, P. | | 登録日 | 2022-07-01 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.
Phys Chem Chem Phys, 25, 2023
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8AA6
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7U5W
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7U5X
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5YUI
 | | CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics | | 分子名称: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Kim, C.U, Park, S.Y, McKenna, R. | | 登録日 | 2017-11-22 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5YUJ
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