5G01
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![BU of 5g01 by Molmil](/molmil-images/mine/5g01) | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | 分子名称: | CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SODIUM ION, ... | 著者 | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | 登録日 | 2016-03-16 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
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5NY3
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![BU of 5ny3 by Molmil](/molmil-images/mine/5ny3) | Carbonic Anhydrase II Inhibitor RA11 | 分子名称: | 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5DSP
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5E2K
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![BU of 5e2k by Molmil](/molmil-images/mine/5e2k) | Crystal structure of human carbonic anhydrase II in complex with the 4-(3-aminophenyl)benzenesulfonamide inhibitor | 分子名称: | 3'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Ferraroni, M, Supuran, C.T. | 登録日 | 2015-10-01 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. J.Med.Chem., 59, 2016
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5DSO
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8OMN
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![BU of 8omn by Molmil](/molmil-images/mine/8omn) | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl VK4 | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | 著者 | Brynda, J, Rezacova, P.M, Kudova, E. | 登録日 | 2023-03-31 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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8OLA
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![BU of 8ola by Molmil](/molmil-images/mine/8ola) | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK4 | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | 著者 | Brynda, J, Rezacova, P.M, Kudova, E. | 登録日 | 2023-03-30 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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8OKJ
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![BU of 8okj by Molmil](/molmil-images/mine/8okj) | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12 | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[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 (1.4 Å) | 主引用文献 | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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8OLI
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![BU of 8oli by Molmil](/molmil-images/mine/8oli) | Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_12 | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | 著者 | Brynda, J, Rezacova, P.M, Kudova, E. | 登録日 | 2023-03-30 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Carbonic Anhydrase in Complex with Steriod_Sulphamoyl To Be Published
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3M96
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![BU of 3m96 by Molmil](/molmil-images/mine/3m96) | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide | 分子名称: | 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | 登録日 | 2010-03-20 | 公開日 | 2011-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. Bioorg.Med.Chem., 18, 2010
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3MWO
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3M04
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![BU of 3m04 by Molmil](/molmil-images/mine/3m04) | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ... | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. | 登録日 | 2010-03-02 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural investigation and inhibitor studies on Carbonic Anhydrase II To be Published
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7Y2I
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2WEO
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![BU of 2weo by Molmil](/molmil-images/mine/2weo) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | 分子名称: | 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | 登録日 | 2009-04-01 | 公開日 | 2009-11-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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3M5S
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5WLV
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![BU of 5wlv by Molmil](/molmil-images/mine/5wlv) | Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide | 分子名称: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Lomelino, C.L, Andring, J.T, McKenna, R. | 登録日 | 2017-07-27 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J. Med. Chem., 61, 2018
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4QSB
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![BU of 4qsb by Molmil](/molmil-images/mine/4qsb) | Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-07-03 | 公開日 | 2015-01-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014
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7SUY
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6WQ8
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![BU of 6wq8 by Molmil](/molmil-images/mine/6wq8) | Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.405 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6UGN
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![BU of 6ugn by Molmil](/molmil-images/mine/6ugn) | Human Carbonic Anhydrase 2 complexed with SB4-205 | 分子名称: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | 著者 | Murray, A.B, Supuran, C.T, McKenna, R. | 登録日 | 2019-09-26 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.406 Å) | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
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7K6I
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![BU of 7k6i by Molmil](/molmil-images/mine/7k6i) | Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-20 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.406 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7ONP
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![BU of 7onp by Molmil](/molmil-images/mine/7onp) | Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | 分子名称: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-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, ACETATE ION, Carbonic anhydrase 2, ... | 著者 | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | 登録日 | 2021-05-25 | 公開日 | 2021-12-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.408 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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8OMP
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![BU of 8omp by Molmil](/molmil-images/mine/8omp) | Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI33 | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | 著者 | Brynda, J, Rezacova, P.M, Kudova, E. | 登録日 | 2023-03-31 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Carbonic Anhydrase in Complex with Steriod_Sulphamoyl To Be Published
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3IBU
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6OUE
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