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4Q9Y	Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II Descriptor: 3-methylbenzenethiol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-05-02 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4QEF	Human Carbonic Anhydrase II V207I - cyanate inhibitor complex Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: West, D.M. Deposit date: 2014-05-15 Release date: 2014-10-08 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.469 Å) Cite: Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest. Acta Crystallogr F Struct Biol Commun, 70, 2014
4QIY	Crystal structure of human carbonic anhydrase isozyme II with inhibitor Descriptor: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... Authors: Manakova, E, Smirnov, A, Grazulis, S. Deposit date: 2014-06-03 Release date: 2015-04-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QJ0	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor Descriptor: 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... Authors: Manakova, E, Smirnov, A, Grazulis, S. Deposit date: 2014-06-03 Release date: 2015-04-15 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QIZ	Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor Descriptor: 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ... Authors: Manakova, E, Smirnov, A, Grazulis, S. Deposit date: 2014-06-03 Release date: 2015-04-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QJO	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2014-06-04 Release date: 2015-04-15 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QJM	Crystal structure of human carbonic anhydrase isozyme II with inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, BICINE, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2014-06-04 Release date: 2015-04-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QJP	Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ... Authors: Manakova, E, Smirnov, A, Grazulis, S. Deposit date: 2014-06-04 Release date: 2015-04-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QK2	Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - E234P Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION Authors: Boone, C.D, Rasi, V, McKenna, R. Deposit date: 2014-06-05 Release date: 2015-03-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.519 Å) Cite: Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II. Febs J., 282, 2015
4QJX	Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2014-06-05 Release date: 2015-04-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QK3	Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - [delta]230-240 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Boone, C.D, Rasi, V, McKenna, R. Deposit date: 2014-06-05 Release date: 2015-03-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.345 Å) Cite: Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II. Febs J., 282, 2015
4QK1	Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - K170P Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Boone, C.D, Rasi, V, McKenna, R. Deposit date: 2014-06-05 Release date: 2015-03-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.599 Å) Cite: Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II. Febs J., 282, 2015
4QJW	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2014-06-05 Release date: 2015-04-15 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4UOV	The structure of a tetrameric alpha-carbonic anhydrase from Thermovibrio ammonificans reveals a core formed around intermolecular disulfides, which contribute to its thermostability. Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... Authors: James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J. Deposit date: 2014-06-10 Release date: 2014-10-15 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability Acta Crystallogr.,Sect.D, 70, 2014
4TWM	Crystal structure of dioscorin from Dioscorea japonica Descriptor: Dioscorin 5, SULFATE ION Authors: Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. Deposit date: 2014-07-01 Release date: 2015-04-01 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
4TWL	Crystal structure of dioscorin complexed with ascorbate Descriptor: ASCORBIC ACID, Dioscorin 5, SULFATE ION Authors: Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. Deposit date: 2014-07-01 Release date: 2015-04-01 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
4QSA	Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2014-07-03 Release date: 2015-01-21 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.501 Å) Cite: Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014
4QSB	Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2014-07-03 Release date: 2015-01-21 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014
4QSJ	Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, CITRIC ACID, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2014-07-04 Release date: 2015-01-21 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014
4QSI	Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ... Authors: Manakova, E, Smirnov, A, Grazulis, S. Deposit date: 2014-07-04 Release date: 2015-01-21 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014
4QTL	Crystal structure of human carbonic anhydrase isozyme II with inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2014-07-08 Release date: 2015-04-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4QY3	THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID Descriptor: 2-[(S)-benzylsulfinyl]benzoic acid, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... Authors: D'Ambrosio, K, De Simone, G. Deposit date: 2014-07-23 Release date: 2014-12-03 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Out of the active site binding pocket for carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 51, 2014
4R5B	Human Carbonic Anhydrase II in Complex with a Carbohydrate-Based Sulfamate Descriptor: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... Authors: Mahon, B.P, McKenna, R. Deposit date: 2014-08-20 Release date: 2014-10-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem., 57, 2014
4R5A	A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate Descriptor: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... Authors: Mahon, B.P, McKenna, R. Deposit date: 2014-08-20 Release date: 2014-10-15 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem., 57, 2014
4R59	A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate Descriptor: (1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ... Authors: Mahon, B.P, McKenna, R. Deposit date: 2014-08-20 Release date: 2014-10-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem., 57, 2014

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