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6YKC	Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic Descriptor: CA IX mimic, Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ... Authors: Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. Deposit date: 2020-04-06 Release date: 2020-09-09 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
6YQU	CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE Descriptor: 3~{H}-1,3-benzoxazole-2-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Alterio, V, De Simone, G, Esposito, D. Deposit date: 2020-04-18 Release date: 2020-07-01 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.478 Å) Cite: 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
6YJ3	Metala-Carborane di-propyl-sulfonamide Descriptor: Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION Authors: Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M. Deposit date: 2020-04-02 Release date: 2020-09-09 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
4FU5	Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... Authors: Di Pizio, A, Heine, A, Klebe, G. Deposit date: 2012-06-28 Release date: 2013-07-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (0.98 Å) Cite: HIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders To be Published
4G0C	Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION Authors: Fisher, S.Z, McKenna, R, Aggarwal, M. Deposit date: 2012-07-09 Release date: 2012-09-19 Last modified: 2023-09-13 Method: NEUTRON DIFFRACTION (2 Å) Cite: Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding. J.Am.Chem.Soc., 134, 2012
4KV0	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor Descriptor: 5-({[(4-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 (1.55 Å) Cite: Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies. Bioorg.Med.Chem., 22, 2014
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
4L5W	Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION Authors: Boone, C.D, Gill, S, McKenna, R. Deposit date: 2013-06-11 Release date: 2014-04-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
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
4CNX	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture Descriptor: CARBONIC ANHYDRASE 2, DI(HYDROXYETHYL)ETHER, ZINC ION Authors: Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. Deposit date: 2014-01-25 Release date: 2015-02-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4CNV	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture Descriptor: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION Authors: Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. Deposit date: 2014-01-25 Release date: 2015-02-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4L5U	The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION Authors: Boone, C.D, Gill, S, McKenna, R. Deposit date: 2013-06-11 Release date: 2014-04-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
4CNR	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture Descriptor: CARBONIC ANHYDRASE 2, ZINC ION Authors: Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. Deposit date: 2014-01-24 Release date: 2015-02-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4KP5	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2013-05-13 Release date: 2013-11-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4K0T	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with chlorzolamide Descriptor: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Biswas, S, McKenna, R. Deposit date: 2013-04-04 Release date: 2014-04-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Designing isoform specific inhibitors against hCAIX using CAIX mimic To be Published
4K0S	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION Authors: Biswas, S, McKenna, R. Deposit date: 2013-04-04 Release date: 2014-04-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.802 Å) Cite: Developing isoform specific inhibitors against hCAIX using CAIX mimic To be Published
4FIK	Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products Descriptor: 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ... Authors: Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R. Deposit date: 2012-06-08 Release date: 2012-06-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II. J Phys Chem Lett, 1, 2010
4COQ	The complex of alpha-Carbonic anhydrase from Thermovibrio ammonificans with inhibitor sulfanilamide. Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CARBONATE DEHYDRATASE, CHLORIDE ION, ... Authors: James, P, Isupov, M.N, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.A. Deposit date: 2014-01-30 Release date: 2014-10-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.55 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
4CQ0	Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes Descriptor: 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ... Authors: Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. Deposit date: 2014-02-10 Release date: 2014-04-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes. J.Med.Chem., 57, 2014
4GL1	Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant Descriptor: Carbonic anhydrase 2, ZINC ION Authors: West, D.M. Deposit date: 2012-08-13 Release date: 2013-09-04 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases To be Published
4KNJ	Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2013-05-10 Release date: 2013-11-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4L5V	The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION Authors: Boone, C.D, Gill, S, McKenna, R. Deposit date: 2013-06-11 Release date: 2014-04-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
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
4E49	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, RESORCINOL, ... Authors: Cohen, S.M, Martin, D.P. Deposit date: 2012-03-12 Release date: 2012-06-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Chem.Commun.(Camb.), 48, 2012
4E5Q	Human Carbonic Anhydrase II in complex with cyanate Descriptor: Carbonic anhydrase 2, ZINC ION, cyanic acid Authors: West, D, McKenna, R. Deposit date: 2012-03-14 Release date: 2013-03-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.7024 Å) Cite: Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest. Acta Crystallogr F Struct Biol Commun, 70, 2014

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