6UGP
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![BU of 6ugp by Molmil](/molmil-images/mine/6ugp) | Human Carbonic Anhydrase 2 complexed with SB4-206 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ... | 著者 | Murray, A.B, Lomelino, C.L, 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 (1.306 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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8FR2
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6UGR
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![BU of 6ugr by Molmil](/molmil-images/mine/6ugr) | Human Carbonic Anhydrase 2 complexed with SB4-208 | 分子名称: | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | 著者 | Murray, A.B, Lomelino, C.L, 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 (1.307 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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6OTM
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7JO2
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![BU of 7jo2 by Molmil](/molmil-images/mine/7jo2) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide | 分子名称: | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, ZINC ION | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.307 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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6H3Q
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![BU of 6h3q by Molmil](/molmil-images/mine/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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3ZP9
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5ZXW
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![BU of 5zxw by Molmil](/molmil-images/mine/5zxw) | Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate | 分子名称: | Carbonic anhydrase 2, SULFATE ION, ZINC ION | 著者 | Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T. | 登録日 | 2018-05-22 | 公開日 | 2018-06-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.316 Å) | 主引用文献 | Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization Cryst.Growth Des., 19, 2019
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6QFX
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![BU of 6qfx by Molmil](/molmil-images/mine/6qfx) | Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase) | 分子名称: | 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-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)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, SULFATE ION, ... | 著者 | Rebelein, J.G. | 登録日 | 2019-01-10 | 公開日 | 2019-04-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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6RG3
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![BU of 6rg3 by Molmil](/molmil-images/mine/6rg3) | Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzylpiperazin-1-yl)benzenesulfonamide | 分子名称: | 4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Ferraroni, M, Angeli, A, Supuran, C. | 登録日 | 2019-04-16 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors. Bioorg.Chem., 91, 2019
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8OGF
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![BU of 8ogf by Molmil](/molmil-images/mine/8ogf) | Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide | 分子名称: | 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Angeli, A, Ferraroni, M. | 登録日 | 2023-03-20 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.321 Å) | 主引用文献 | Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide To Be Published
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6UFC
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5EKM
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![BU of 5ekm by Molmil](/molmil-images/mine/5ekm) | |
7NZX
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![BU of 7nzx by Molmil](/molmil-images/mine/7nzx) | Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-03-24 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Crystal structure of chimeric carbonic anhydrase VA To Be Published
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5THN
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![BU of 5thn by Molmil](/molmil-images/mine/5thn) | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 | 分子名称: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ... | 著者 | Dick, B, Cohen, S. | 登録日 | 2016-09-29 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5EKH
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6WKA
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5JDV
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![BU of 5jdv by Molmil](/molmil-images/mine/5jdv) | Human carbonic anhydrase II (F131W) 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 | 2016-04-17 | 公開日 | 2017-01-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.34 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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4HEZ
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![BU of 4hez by Molmil](/molmil-images/mine/4hez) | |
4QK3
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3MYQ
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![BU of 3myq by Molmil](/molmil-images/mine/3myq) | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | 登録日 | 2010-05-11 | 公開日 | 2011-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.35 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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6WQ4
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![BU of 6wq4 by Molmil](/molmil-images/mine/6wq4) | Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide | 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 (1.35 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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7NZT
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![BU of 7nzt by Molmil](/molmil-images/mine/7nzt) | Crystal structure of chimeric carbonic anhydrase VA with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-03-24 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Crystal structure of chimeric carbonic anhydrase VA To Be Published
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6YZP
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![BU of 6yzp by Molmil](/molmil-images/mine/6yzp) | Carborane nido-hexyl-sulfonamide in complex with CA IX mimic | 分子名称: | Carbonic anhydrase 2, Carborane nido-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 (1.35 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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4MDG
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![BU of 4mdg by Molmil](/molmil-images/mine/4mdg) | Closo Carborane Carbonic Anhydrase Inhibitor | 分子名称: | 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Mader, P, Rezacova, P. | 登録日 | 2013-08-22 | 公開日 | 2014-01-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Carborane-based carbonic anhydrase inhibitors. Angew.Chem.Int.Ed.Engl., 52, 2013
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