3V3H
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![BU of 3v3h by Molmil](/molmil-images/mine/3v3h) | |
3U45
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![BU of 3u45 by Molmil](/molmil-images/mine/3u45) | Human Carbonic Anhydrase II V143A | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | West, D, Mckenna, R. | Deposit date: | 2011-10-07 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structural Modification of the hydrophobic pocket in Human Carbonic Anhydrase II To be Published
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4E5Q
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![BU of 4e5q by Molmil](/molmil-images/mine/4e5q) | Human Carbonic Anhydrase II in complex with cyanate | Descriptor: | Carbonic anhydrase 2, ZINC ION, cyanic acid | Authors: | West, D, McKenna, R. | Deposit date: | 2012-03-14 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7024 Å) | Cite: | Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4FVO
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![BU of 4fvo by Molmil](/molmil-images/mine/4fvo) | |
4G0C
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![BU of 4g0c by Molmil](/molmil-images/mine/4g0c) | Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Fisher, S.Z, McKenna, R, Aggarwal, M. | Deposit date: | 2012-07-09 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding. J.Am.Chem.Soc., 134, 2012
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4HBA
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![BU of 4hba by Molmil](/molmil-images/mine/4hba) | Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | Boone, C.D, Habibzadegan, A, McKenna, R. | Deposit date: | 2012-09-27 | Release date: | 2013-07-31 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond. Acta Crystallogr.,Sect.D, 69, 2013
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4HF3
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![BU of 4hf3 by Molmil](/molmil-images/mine/4hf3) | |
4FIK
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![BU of 4fik by Molmil](/molmil-images/mine/4fik) | Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products | Descriptor: | 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ... | Authors: | Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R. | Deposit date: | 2012-06-08 | Release date: | 2012-06-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II. J Phys Chem Lett, 1, 2010
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4HU1
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![BU of 4hu1 by Molmil](/molmil-images/mine/4hu1) | Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2012-11-02 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
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4HT0
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![BU of 4ht0 by Molmil](/molmil-images/mine/4ht0) | Crystal structure of human carbonic anhydrase isozyme II with the inhibitor. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2012-10-31 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
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4HT2
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![BU of 4ht2 by Molmil](/molmil-images/mine/4ht2) | Crystal structure of human carbonic anhydrase isozyme XII with the inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2012-10-31 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
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4HEY
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![BU of 4hey by Molmil](/molmil-images/mine/4hey) | |
4FRC
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![BU of 4frc by Molmil](/molmil-images/mine/4frc) | |
4FL7
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![BU of 4fl7 by Molmil](/molmil-images/mine/4fl7) | |
4FPT
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![BU of 4fpt by Molmil](/molmil-images/mine/4fpt) | Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Di Pizio, A, Heine, A, Klebe, G. | Deposit date: | 2012-06-22 | Release date: | 2013-07-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
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4FU5
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![BU of 4fu5 by Molmil](/molmil-images/mine/4fu5) | |
4GL1
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![BU of 4gl1 by Molmil](/molmil-images/mine/4gl1) | |
4ILX
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![BU of 4ilx by Molmil](/molmil-images/mine/4ilx) | |
4IDR
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![BU of 4idr by Molmil](/molmil-images/mine/4idr) | |
4HEW
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![BU of 4hew by Molmil](/molmil-images/mine/4hew) | |
4HEZ
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![BU of 4hez by Molmil](/molmil-images/mine/4hez) | |
4FVN
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![BU of 4fvn by Molmil](/molmil-images/mine/4fvn) | |
4ITO
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![BU of 4ito by Molmil](/molmil-images/mine/4ito) | Human CA II inhibition by novel sulfonamide | Descriptor: | 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Aggarwal, M, McKenna, R. | Deposit date: | 2013-01-18 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.162 Å) | Cite: | Human CA II inhibition by novel sulfonamide To be Published
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4ITP
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![BU of 4itp by Molmil](/molmil-images/mine/4itp) | Structure of human carbonic anhydrase II bound to a benzene sulfonamide | Descriptor: | 2-phenyl-N-(4-sulfamoylbenzyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Biswas, S, McKenna, R. | Deposit date: | 2013-01-18 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition. Bioorg.Med.Chem., 21, 2013
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4IWZ
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![BU of 4iwz by Molmil](/molmil-images/mine/4iwz) | structure of hCAII in complex with an acetazolamide derivative | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Biswas, S, McKenna, R. | Deposit date: | 2013-01-24 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII. Bioorg.Med.Chem.Lett., 23, 2013
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