6VJ3
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![BU of 6vj3 by Molmil](/molmil-images/mine/6vj3) | Carbonic Anhydrase II in complex with pyrimidine-based inhibitor | Descriptor: | 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Lomelino, C.L, McKenna, R. | Deposit date: | 2020-01-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells. Eur.J.Med.Chem., 190, 2020
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6U4Q
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![BU of 6u4q by Molmil](/molmil-images/mine/6u4q) | Carbonic anhydrase 2 in complex with SB4197 | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-08-26 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.306 Å) | Cite: | "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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3MNA
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![BU of 3mna by Molmil](/molmil-images/mine/3mna) | The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-21 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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2ILI
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![BU of 2ili by Molmil](/molmil-images/mine/2ili) | Refine atomic structure of human carbonic anhydrase II | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Fisher, S.Z. | Deposit date: | 2006-10-02 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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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6WQ7
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![BU of 6wq7 by Molmil](/molmil-images/mine/6wq7) | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | Deposit date: | 2020-04-28 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.304 Å) | Cite: | 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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3M1K
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![BU of 3m1k by Molmil](/molmil-images/mine/3m1k) | Carbonic Anhydrase in complex with fragment | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ... | Authors: | Schulze Wischeler, J, Heine, A, Klebe, G. | Deposit date: | 2010-03-05 | Release date: | 2010-11-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry. Chemmedchem, 5, 2010
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2CA2
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![BU of 2ca2 by Molmil](/molmil-images/mine/2ca2) | CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ... | Authors: | Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A. | Deposit date: | 1989-02-06 | Release date: | 1990-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH. Proteins, 4, 1988
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7C5W
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7C5Y
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7C5X
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7C5V
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2HFW
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![BU of 2hfw by Molmil](/molmil-images/mine/2hfw) | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III | Descriptor: | Carbonic anhydrase 3, ZINC ION | Authors: | Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N. | Deposit date: | 2006-06-26 | Release date: | 2007-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III. Proteins, 68, 2007
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8DQF
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![BU of 8dqf by Molmil](/molmil-images/mine/8dqf) | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | Descriptor: | Carbonic anhydrase, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, SULFATE ION, ... | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | Deposit date: | 2022-07-19 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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8DPC
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![BU of 8dpc by Molmil](/molmil-images/mine/8dpc) | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae | Descriptor: | Carbonic anhydrase, SULFATE ION, ZINC ION | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | Deposit date: | 2022-07-15 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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2IT4
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![BU of 2it4 by Molmil](/molmil-images/mine/2it4) | X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet | Descriptor: | Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION | Authors: | Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-10-19 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I. Bioorg.Med.Chem.Lett., 17, 2007
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1KOQ
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![BU of 1koq by Molmil](/molmil-images/mine/1koq) | NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE | Descriptor: | CARBONIC ANHYDRASE, ZINC ION | Authors: | Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H. | Deposit date: | 1998-03-22 | Release date: | 1998-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide. J.Mol.Biol., 283, 1998
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7CA2
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4CA2
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1OQ5
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![BU of 1oq5 by Molmil](/molmil-images/mine/1oq5) | CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION | Authors: | Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G. | Deposit date: | 2003-03-07 | Release date: | 2004-03-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J.Med.Chem., 47, 2004
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7JNW
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![BU of 7jnw by Molmil](/molmil-images/mine/7jnw) | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide | Descriptor: | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Andring, J.T, McKenna, R. | Deposit date: | 2020-08-05 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.292 Å) | Cite: | 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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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 | Descriptor: | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, ZINC ION | Authors: | Andring, J.T, McKenna, R. | Deposit date: | 2020-08-05 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.307 Å) | Cite: | 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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7SV8
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7SUW
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7SV1
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7SUY
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