4BF6
 
 | | Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | | Descriptor: | 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | Authors: | Tars, K, Leitans, J, Zalubovskis, R. | | Deposit date: | 2013-03-15 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
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4BF1
 | | Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide | | Descriptor: | 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ... | | Authors: | Tars, K, Leitans, J, Zalubovskis, R. | | Deposit date: | 2013-03-13 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
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4CNW
 | | Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | | Descriptor: | CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION | | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | | Deposit date: | 2014-01-25 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
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2AX2
 | | Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase II, ZINC ION | | Authors: | Budayova-Spano, M, Fisher, S.Z, Dauvergne, M.T, Silverman, D.N, Myles, D.A.A, McKenna, R.M. | | Deposit date: | 2005-09-02 | | Release date: | 2006-01-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 62, 2006
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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
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1ZFK
 | | carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase II, GLYCEROL, ... | | Authors: | Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T. | | Deposit date: | 2005-04-20 | | Release date: | 2006-05-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor
To be Published
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4C3T
 | | The Carbonic anhydrase from Thermovibrio ammonificans reveals an interesting intermolecular disulfide contributing to increasing thermal stability of this enzyme | | Descriptor: | CARBONATE DEHYDRATASE, CHLORIDE ION, ZINC ION | | Authors: | James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J. | | Deposit date: | 2013-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 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
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4DZ7
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2ABE
 | | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators | | Descriptor: | Carbonic anhydrase II, HISTIDINE, MERCURY (II) ION, ... | | Authors: | Temperini, C, Scozzafava, A, Puccetti, L, Supuran, C.T. | | Deposit date: | 2005-07-15 | | Release date: | 2005-10-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with l-histidine as a platform for the design of stronger activators.
Bioorg.Med.Chem.Lett., 15, 2005
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4DZ9
 | | hCA II in complex with novel sulfonamide inhibitors Set D | | Descriptor: | 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Aggarwal, M, McKenna, R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
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4E3D
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4E3G
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4E3H
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1ZE8
 | | Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor | | Descriptor: | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ... | | Authors: | Menchise, V, De Simone, G, Alterio, V, Di Fiore, A, Pedone, C, Scozzafava, A, Supuran, C.T. | | Deposit date: | 2005-04-18 | | Release date: | 2005-10-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II
J.Med.Chem., 48, 2005
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1ZH9
 | | carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase II, ... | | Authors: | Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T. | | Deposit date: | 2005-04-23 | | Release date: | 2006-05-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
To be Published
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4E49
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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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4FL7
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4FPT
 | | Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate | | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Di Pizio, A, Heine, A, Klebe, G. | | Deposit date: | 2012-06-22 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
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4FVN
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7K6J
 | | Carbonic Anhydrase II complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | | Descriptor: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Andring, J.T, Singh, S, McKenna, R. | | Deposit date: | 2020-09-20 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.755 Å) | | Cite: | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
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7K6T
 | | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide | | Descriptor: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Andring, J.T, Singh, S, McKenna, R. | | Deposit date: | 2020-09-21 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
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7K6U
 | | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | | Descriptor: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Andring, J.T, Singh, S, McKenna, R. | | Deposit date: | 2020-09-21 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.605 Å) | | Cite: | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
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7K6L
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4FVO
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