5DSL
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8OMH
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![BU of 8omh by Molmil](/molmil-images/mine/8omh) | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl (BS1982) | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-31 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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4Q7W
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8OLF
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![BU of 8olf by Molmil](/molmil-images/mine/8olf) | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-30 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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8OKG
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![BU of 8okg by Molmil](/molmil-images/mine/8okg) | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_13 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-28 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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4Q8Y
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6OE1
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![BU of 6oe1 by Molmil](/molmil-images/mine/6oe1) | |
5WG7
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![BU of 5wg7 by Molmil](/molmil-images/mine/5wg7) | Human Carbonic Anhydrase II complexed with AceK | Descriptor: | Acesulfame, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | Deposit date: | 2017-07-13 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J. Med. Chem., 61, 2018
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5TY8
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![BU of 5ty8 by Molmil](/molmil-images/mine/5ty8) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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6H6S
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![BU of 6h6s by Molmil](/molmil-images/mine/6h6s) | Sad phasing on nickel-substituted human carbonic anhydrase II | Descriptor: | Carbonic anhydrase 2, NICKEL (II) ION | Authors: | Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S. | Deposit date: | 2018-07-30 | Release date: | 2019-01-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects? J. Biol. Inorg. Chem., 24, 2019
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4Z0Q
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![BU of 4z0q by Molmil](/molmil-images/mine/4z0q) | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | Descriptor: | 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | Deposit date: | 2015-03-26 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
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4HEY
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5YUK
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7NZW
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![BU of 7nzw by Molmil](/molmil-images/mine/7nzw) | Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | Descriptor: | 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-03-24 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of chimeric carbonic anhydrase VA To Be Published
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3OKV
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![BU of 3okv by Molmil](/molmil-images/mine/3okv) | Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | Deposit date: | 2010-08-25 | Release date: | 2011-07-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
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4YVY
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4KAP
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![BU of 4kap by Molmil](/molmil-images/mine/4kap) | The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand | Descriptor: | 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Lange, H, Lockett, M.R, Breiten, B, Heroux, A, Sherman, W, Rappoport, D, Yau, P.O, Snyder, P.W, Whitesides, G.M. | Deposit date: | 2013-04-22 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand. Angew.Chem.Int.Ed.Engl., 52, 2013
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4YWP
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![BU of 4ywp by Molmil](/molmil-images/mine/4ywp) | Sucrose Binding Site in genetically engineered Carbonic anhydrase IX | Descriptor: | Carbonic anhydrase 2, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Pinard, M.A, Aggarwal, M. | Deposit date: | 2015-03-20 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX. Acta Crystallogr F Struct Biol Commun, 71, 2015
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4E4A
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2WEJ
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![BU of 2wej by Molmil](/molmil-images/mine/2wej) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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4CQ0
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![BU of 4cq0 by Molmil](/molmil-images/mine/4cq0) | Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes | Descriptor: | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | Authors: | Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. | Deposit date: | 2014-02-10 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes. J.Med.Chem., 57, 2014
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4E49
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3OIM
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![BU of 3oim by Molmil](/molmil-images/mine/3oim) | Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate | Descriptor: | (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | Deposit date: | 2010-08-19 | Release date: | 2011-07-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
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3OKU
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![BU of 3oku by Molmil](/molmil-images/mine/3oku) | Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | Deposit date: | 2010-08-25 | Release date: | 2011-07-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
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2QP6
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