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7OK8	Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide Descriptor: 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2021-05-17 Release date: 2022-06-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action. Eur.J.Med.Chem., 225, 2021
7QGZ	Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate Descriptor: Carbonic anhydrase 2, ZINC ION, methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate Authors: Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-12-10 Release date: 2022-05-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
7QGX	Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid Descriptor: 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, MALONATE ION, ... Authors: Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-12-10 Release date: 2022-05-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.19 Å) Cite: Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
7QGY	Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid Descriptor: 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, ZINC ION Authors: Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-12-10 Release date: 2022-05-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
7OA1	Crystal structure of alfa carbonic anhydrase from Schistosoma mansoni with 4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Angelil, A, Ferraroni, M. Deposit date: 2021-04-18 Release date: 2022-05-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7NZS	Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-03-24 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal structure of chimeric carbonic anhydrase VA To Be Published
7NZX	Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Descriptor: 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-03-24 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.33 Å) Cite: Crystal structure of chimeric carbonic anhydrase VA To Be Published
7NZU	Crystal structure of chimeric carbonic anhydrase VA with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-03-24 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Crystal structure of chimeric carbonic anhydrase VA To Be Published
7O2S	Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ... Authors: Ferraroni, M, Angeli, A. Deposit date: 2021-03-31 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7NZR	Crystal structure of chimeric carbonic anhydrase VA with 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide Descriptor: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-03-24 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.284 Å) Cite: Crystal structure of chimeric carbonic anhydrase VA To Be Published
7NZW	Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide Descriptor: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-03-24 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Crystal structure of chimeric carbonic anhydrase VA To Be Published
7O48	Crystal structure of carbonic anhydrase from schistosoma mansoni with 4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2021-04-05 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7NZT	Crystal structure of chimeric carbonic anhydrase VA with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Descriptor: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2021-03-24 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Crystal structure of chimeric carbonic anhydrase VA To Be Published
7SUY	Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... Authors: Combs, J.E, McKenna, R. Deposit date: 2021-11-18 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.405 Å) Cite: The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SUW	Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... Authors: McKenna, R, Combs, J.E. Deposit date: 2021-11-18 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.456 Å) Cite: The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SV1	Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... Authors: Combs, J.E, McKenna, R. Deposit date: 2021-11-18 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.559 Å) Cite: The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SV8	Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... Authors: Combs, J.E, McKenna, R. Deposit date: 2021-11-18 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.388 Å) Cite: The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7NWY	Crystal structure of alpha carbonic anhydrase from schistosoma mansoni with 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2021-03-17 Release date: 2022-03-30 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.807 Å) Cite: Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7QBH	Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II) Descriptor: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol Authors: Angeli, A, Ferraroni, M. Deposit date: 2021-11-19 Release date: 2022-03-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.223 Å) Cite: Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition. Chemmedchem, 17, 2022
7NTB	Crystal structure of human carbonic anhydrase with a benzophenone-derivative Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION, ... Authors: Di Fiore, A, De Simone, G. Deposit date: 2021-03-09 Release date: 2022-03-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Interaction Studies between Carbonic Anhydrase and a Sulfonamide Inhibitor by Experimental and Theoretical Approaches Acs Med.Chem.Lett., 13, 2022
7BHH	4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2021-01-11 Release date: 2022-03-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7BM4	Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulphamoylphenyl)selenourea Descriptor: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ... Authors: Ferraroni, M, Angeli, A, Supuran, C.T. Deposit date: 2021-01-19 Release date: 2022-03-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7NG1	Crystal structure of alpha Carbonic anhydrase from Schistoso ma mansoni bound to 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]selenourea Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, GLYCEROL, ... Authors: Ferraroni, M, Angeli, A, Supuran, C.T. Deposit date: 2021-02-08 Release date: 2022-03-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7NEX	Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, ... Authors: Ferraroni, M, Angeli, A, Supuran, C.T. Deposit date: 2021-02-05 Release date: 2022-03-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
7NH6	Crystal structure of human carbonic anhydrase II with 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide Descriptor: 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2021-02-10 Release date: 2022-02-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors. J.Med.Chem., 64, 2021

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