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8BJX	Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2022-11-08 Release date: 2023-11-22 Method: X-RAY DIFFRACTION (1.283 Å) Cite: Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide To Be Published
8CDZ	human carbonic anhydrase I complexed with 4-(3-butylureido)benzenesulfonamide Descriptor: 1-butyl-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2023-02-01 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (1.44 Å) Cite: human carbonic anhydrase I complexed with 4-(3-butylureido)benzenesulfonamide To Be Published
8CDX	Human carbonic anhydrase I complexed with 4-(3-ethylureido)benzenesulfonamide Descriptor: 1-ethyl-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION Authors: Angeli, A, Ferraroni, M. Deposit date: 2023-02-01 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (1.335 Å) Cite: Human carbonic anhydrase I complexed with 4-(3-ethylureido)benzenesulfonamide To Be Published
6VKG	Human carbonic anhydrase IX mimic with Epacadostat bound Descriptor: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, SULFATE ION, ZINC ION, ... Authors: Peat, T.S, Carta, F, Supuran, C.T. Deposit date: 2020-01-20 Release date: 2020-03-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.37 Å) Cite: X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX. Bioorg.Chem., 97, 2020
8GPP	Acinetobacter baumannii carbonic anhydrase PaaY Descriptor: BICARBONATE ION, CALCIUM ION, Carbonic anhydrase, ... Authors: Wen, Y, Jiao, M. Deposit date: 2022-08-26 Release date: 2023-05-31 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Acinetobacter baumannii carbonic anhydrase Structure, 2023
8OO8	Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor Descriptor: 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Leitans, J, Tars, K. Deposit date: 2023-04-04 Release date: 2024-04-10 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor To Be Published
8DPO	Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... Authors: Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. Deposit date: 2022-07-15 Release date: 2023-07-19 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide To Be Published
6ZR8	The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION Authors: Di Fiore, A, De Simone, G, D'Ambrosio, K. Deposit date: 2020-07-11 Release date: 2021-06-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.79 Å) Cite: The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development New J.Chem., 45, 2021
3V2M	Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Aggarwal, M, McKenna, A. Deposit date: 2011-12-12 Release date: 2012-12-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.471 Å) Cite: Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II To be Published
8OTP	Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid Descriptor: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid, Carbonic anhydrase 2, GLYCEROL, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2023-04-21 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid To Be Published
8OUB	The crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-sulfamoylbenzyl)carbamoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid Descriptor: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid, Carbonic anhydrase 2, ZINC ION Authors: Angeli, A, Ferraroni, M. Deposit date: 2023-04-22 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.178 Å) Cite: The crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-sulfamoylbenzyl)carbamoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid To Be Published
3V2J	Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION Authors: Aggarwal, M, McKenna, A. Deposit date: 2011-12-12 Release date: 2012-12-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.699 Å) Cite: Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II To be Published
8GPM	Acinetobacter baumannii carbonic anhydrase Descriptor: CALCIUM ION, Carbonic anhydrase, GLYCEROL, ... Authors: Wen, Y, Jiao, M. Deposit date: 2022-08-26 Release date: 2023-05-31 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Acinetobacter baumannii carbonic anhydrase Structure, 2023
2FGY	Beta Carbonic Anhydrase from the Carboxysomal Shell of Halothiobacillus neapolitanus (CsoSCA) Descriptor: ZINC ION, carboxysome shell polypeptide Authors: Sawaya, M.R. Deposit date: 2005-12-22 Release date: 2006-01-17 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The Structure of beta-carbonic anhydrase from the carboxysomal shell reveals a distinct subclass with one active site for the price of two. J.Biol.Chem., 281, 2006
4KUY	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(o-tolylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor Descriptor: 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... Authors: Ferraroni, M. Deposit date: 2013-05-22 Release date: 2014-06-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: New classes of carbonic anhydrase inhibitors to be published
4KUV	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor Descriptor: 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... Authors: Ferraroni, M. Deposit date: 2013-05-22 Release date: 2014-06-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.35 Å) Cite: New classes of carbonic anhydrase inhibitors to be published
4LHI	Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide Descriptor: 5-(phenylsulfonyl)thiophene-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2013-07-01 Release date: 2014-07-02 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide To be Published
4KUW	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor Descriptor: 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... Authors: Ferraroni, M. Deposit date: 2013-05-22 Release date: 2014-06-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: New classes of carbonic anhydrase inhibitors to be published
3MF3	Cobalt(II)-Substituted Haemophilus influenzae B-Carbonic Anhydrase Descriptor: ACETATE ION, COBALT (II) ION, Carbonic anhydrase 2 Authors: Hoffmann, K.M, Rowlett, R.S. Deposit date: 2010-04-01 Release date: 2011-04-20 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The Structure and Properties of Cobalt(II)-Substituted Haemophilus influenzae B-Carbonic Anhydrase. To be Published
5LL4	Crystal structure of human carbonic anhydrase isozyme II with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide Descriptor: 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2016-07-26 Release date: 2017-08-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
5CLU	THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE Descriptor: (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid, Carbonic anhydrase 2, GLYCEROL, ... Authors: D'Ambrosio, K, De Simone, G. Deposit date: 2015-07-16 Release date: 2015-11-11 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases. Chemistry, 22, 2016
5MSA	Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2017-01-02 Release date: 2018-01-17 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide To be published
5LMD	The crystal structure of hCA II in complex with a benzoxaborole inhibitor Descriptor: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION Authors: De Simone, G, Alterio, V, Esposito, D, Di Fiore, A. Deposit date: 2016-07-29 Release date: 2016-10-19 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
1HCB	ENZYME-SUBSTRATE INTERACTIONS: STRUCTURE OF HUMAN CARBONIC ANHYDRASE I COMPLEXED WITH BICARBONATE Descriptor: BICARBONATE ION, CARBONIC ANHYDRASE I, ZINC ION Authors: Kumar, V, Kannan, K.K. Deposit date: 1994-01-07 Release date: 1994-04-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Enzyme-substrate interactions. Structure of human carbonic anhydrase I complexed with bicarbonate. J.Mol.Biol., 241, 1994
7ZW9	Crystal structure of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei Descriptor: BETA-MERCAPTOETHANOL, Bacterial transferase hexapeptide family protein, ZINC ION Authors: Di Fiore, A, De Simone, G. Deposit date: 2022-05-19 Release date: 2022-09-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Biochemical, structural, and computational studies of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei. Comput Struct Biotechnol J, 20, 2022

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