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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
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
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
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
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
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
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: 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
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
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: 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
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
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: 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
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
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
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
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
4Q99	Crystal structure of 2-mercapto-4-methylphenol bound to human carbonic anhydrase II Descriptor: 4-methyl-2-sulfanylphenol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-29 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q90	Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-28 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q8Z	Crystal structure of 1-hydroxy-4-methylpyridin-2(1H)-one bound to human carbonic anhydrase II Descriptor: 1-hydroxy-4-methylpyridin-2(1H)-one, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-28 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q8Y	Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase II Descriptor: 2-hydroxyisoquinoline-1(2H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-28 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q8X	Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-28 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
4Q87	Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 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
4Q83	Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 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
4Q81	Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 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
4Q7W	Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-6-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q7V	Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-5-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014

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