3V7X
 
 | | Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | | 分子名称: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | | 著者 | Mader, P, Brynda, J, Rezacova, P. | | 登録日 | 2011-12-22 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
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6SDI
 | | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Gloeckner, S, Haake, M, Heine, A, Klebe, G. | | 登録日 | 2019-07-27 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM
To Be Published
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7OYO
 | | Carbonic anhydrase II in complex with Hit4 (MH70) | | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2021-06-24 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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6YZW
 | | Carborane closo-hexyl-sulfonamide in complex with CA II | | 分子名称: | Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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5LL8
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2NNS
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6SDH
 | | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Gloeckner, S, Haake, M, Heine, A, Klebe, G. | | 登録日 | 2019-07-27 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM
To Be Published
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6SFU
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7ONV
 | | Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | | 登録日 | 2021-05-26 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
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6I0W
 | | Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide | | 分子名称: | 4-methoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2018-10-26 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
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7U5X
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6YZQ
 | | Carborane closo-butyl-sulfonamide in complex with CA II | | 分子名称: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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6XXT
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4FVN
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4FVO
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3VBD
 | | Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | | 分子名称: | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Mader, P, Brynda, J, Rezacova, P. | | 登録日 | 2012-01-02 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
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6SD7
 | | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide, 2,3,4,5,6-pentafluorobenzenesulfonamide, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2019-07-26 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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7OYP
 | | Carbonic anhydrase II in complex with Hit3-t1 (MH172) | | 分子名称: | (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide, 4-methylbenzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2021-06-24 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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6YZT
 | | Closo-carborane propyl-sulfonamide in complex with CA II | | 分子名称: | Carbonic anhydrase 2, Carborane propyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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6Z04
 | | Nido-carborane butyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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6YZS
 | | Carborane closo-pentyl-sulfonamide in complex with CA II | | 分子名称: | Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, SODIUM ION, ... | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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8OKE
 | | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1 | | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | | 著者 | Brynda, J, Rezacova, P.M, Kudova, E. | | 登録日 | 2023-03-28 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
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2ILI
 | | Refine atomic structure of human carbonic anhydrase II | | 分子名称: | Carbonic anhydrase 2, ZINC ION | | 著者 | Fisher, S.Z. | | 登録日 | 2006-10-02 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Atomic crystal and molecular dynamics simulation structures of human carbonic anhydrase II: insights into the proton transfer mechanism
Biochemistry, 46, 2007
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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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5DOH
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | | 分子名称: | 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2015-09-11 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
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