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4K0S	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION Authors: Biswas, S, McKenna, R. Deposit date: 2013-04-04 Release date: 2014-04-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.802 Å) Cite: Developing isoform specific inhibitors against hCAIX using CAIX mimic To be Published
4JSZ	Benzenesulfonamide bound to hCAII H94C Descriptor: Carbonic anhydrase 2, ZINC ION, benzenesulfonamide Authors: Martin, D.P, Hann, Z.S, Cohen, S.M. Deposit date: 2013-03-22 Release date: 2013-06-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4JSW	Human carbonic anhydrase II H94C Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Martin, D.P, Hann, Z.S, Cohen, S.M. Deposit date: 2013-03-22 Release date: 2013-06-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4JSS	Human carbonic anhydrase II H94D bound to a bidentate inhibitor Descriptor: 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... Authors: Martin, D.P, Hann, Z.S, Cohen, S.M. Deposit date: 2013-03-22 Release date: 2013-06-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4JSA	Benzenesulfonamide complexed with hCAII H94D Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ... Authors: Martin, D.P, Hann, Z.S, Cohen, S.M. Deposit date: 2013-03-22 Release date: 2013-06-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4JS6	Crystal structure of inhibitor-free hCAII H94D Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION Authors: Martin, D.P, Hann, Z.S, Cohen, S.M. Deposit date: 2013-03-22 Release date: 2013-06-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
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
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
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
4ILX	Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Biswas, S, McKenna, R. Deposit date: 2013-01-01 Release date: 2013-02-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition. Bioorg.Med.Chem., 21, 2013
4IDR	Human Carbonic Anhydrase II Proton Transfer Double Mutant Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION Authors: Mikulski, R.M, West, D.M. Deposit date: 2012-12-13 Release date: 2012-12-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II. Biochemistry, 52, 2013
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
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
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
4HF3	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Descriptor: Carbonic anhydrase 2, IMIDAZOLE, ZINC ION Authors: Aggarwal, M, McKenna, R. Deposit date: 2012-10-04 Release date: 2013-10-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.1476 Å) Cite: Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
4HEZ	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Descriptor: 1-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION Authors: Aggarwal, M, McKenna, R. Deposit date: 2012-10-04 Release date: 2013-10-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3446 Å) Cite: Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
4HEY	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Descriptor: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION Authors: Aggarwal, M, McKenna, R. Deposit date: 2012-10-04 Release date: 2013-10-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
4HEW	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Descriptor: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION Authors: Aggarwal, M, McKenna, R. Deposit date: 2012-10-04 Release date: 2013-10-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.6984 Å) Cite: Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
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
4GL1	Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant Descriptor: Carbonic anhydrase 2, ZINC ION Authors: West, D.M. Deposit date: 2012-08-13 Release date: 2013-09-04 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases To be Published
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
4FVO	Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Di Pizio, A, Heine, A, Klebe, G. Deposit date: 2012-06-29 Release date: 2013-07-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.05 Å) Cite: High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4FVN	Carbonic Anhydrase II in complex with N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... Authors: Di Pizio, A, Heine, A, Klebe, G. Deposit date: 2012-06-29 Release date: 2013-07-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.05 Å) Cite: HIgh resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4FU5	Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... Authors: Di Pizio, A, Heine, A, Klebe, G. Deposit date: 2012-06-28 Release date: 2013-07-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (0.98 Å) Cite: HIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders To be Published
4FRC	Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... Authors: Di Pizio, A, Heine, A, Klebe, G. Deposit date: 2012-06-26 Release date: 2013-07-17 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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