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1CNW	SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS Descriptor: AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... Authors: Boriack, P.A, Christianson, D.W. Deposit date: 1995-07-21 Release date: 1995-11-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants. J.Med.Chem., 38, 1995
1CVE	STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE Descriptor: CARBONIC ANHYDRASE II, ZINC ION Authors: Ippolito, J.A, Christianson, D.W. Deposit date: 1994-06-21 Release date: 1994-11-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structural consequences of redesigning a protein-zinc binding site. Biochemistry, 33, 1994
5KU6	Crystal structure for the complex of human carbonic anhydrase IV and methazolamide Descriptor: ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... Authors: Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. Deposit date: 2016-07-12 Release date: 2017-07-26 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
1CNJ	X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION Authors: Lesburg, C.A, Christianson, D.W. Deposit date: 1995-04-03 Release date: 1995-07-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: X-Ray Crystallographic Studies of Engineered Hydrogen Bond Networks in a Protein-Zinc Binding Site J.Am.Chem.Soc., 117, 1995
1CIM	THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS Descriptor: (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... Authors: Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. Deposit date: 1993-10-20 Release date: 1994-01-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors. Protein Sci., 3, 1994
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
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
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
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
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
1CNC	COMPENSATORY PLASTIC EFFECTS IN THE REDESIGN OF PROTEIN-ZINC BINDING SITES Descriptor: CARBONIC ANHYDRASE II, ZINC ION Authors: Ippolito, J.A, Christianson, D.W. Deposit date: 1994-06-13 Release date: 1994-10-15 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural consequences of redesigning a protein-zinc binding site. Biochemistry, 33, 1994
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
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
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
5LLH	Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... Authors: Manakova, E, Smirnov, A, Grazulis, S. Deposit date: 2016-07-27 Release date: 2017-08-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
5LL8	Human Carbonic Anhydrase II in complex with aliphatic Benzenesulfonamide inhibitor. Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-butylbenzenesulfonamide, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Heine, A, Klebe, G. Deposit date: 2016-07-27 Release date: 2017-08-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.03 Å) Cite: Crystallographic, kinetic and thermodynamic characterization of aliphatic Benzenesulfonamides as Ligands of human Carbonic Anhydrase II To Be Published
6EQU	X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor Descriptor: 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Alterio, V, De Simone, G, Esposito, D. Deposit date: 2017-10-15 Release date: 2017-12-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor. J Enzyme Inhib Med Chem, 33, 2018
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: 2024-10-16 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
5LL5	Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide Descriptor: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, Carbonic anhydrase 12, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2016-07-26 Release date: 2017-08-16 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
5LLA	Crystal structure of human carbonic anhydrase isozyme XIII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide Descriptor: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, CITRIC ACID, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2016-07-27 Release date: 2017-08-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
1CVB	STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II Descriptor: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION Authors: Ippolito, J.A, Christianson, D.W. Deposit date: 1993-02-04 Release date: 1993-10-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural and functional importance of a conserved hydrogen bond network in human carbonic anhydrase II. J.Biol.Chem., 268, 1993
1CNI	X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION Authors: Lesburg, C.A, Christianson, D.W. Deposit date: 1995-04-03 Release date: 1995-07-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: X-Ray Crystallographic Studies of Engineered Hydrogen Bond Networks in a Protein-Zinc Binding Site J.Am.Chem.Soc., 117, 1995
6EEA	Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. Descriptor: 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. Deposit date: 2018-08-13 Release date: 2018-11-28 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.63 Å) Cite: 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles. J. Med. Chem., 61, 2018

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