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3OKV	Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate Descriptor: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. Deposit date: 2010-08-25 Release date: 2011-07-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3OYQ	Structure of Human Carbonic Anhydrase II complexed with 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE Descriptor: (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Aggarwal, M, McKenna, R. Deposit date: 2010-09-23 Release date: 2011-08-10 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV. J.Med.Chem., 54, 2011
3P3H	Human carbonic anhydrase II in complex with p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Salmon, A.J. Deposit date: 2010-10-04 Release date: 2011-09-28 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012
3P55	Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Salmon, A.J. Deposit date: 2010-10-07 Release date: 2011-10-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012
6KM0	Human Carbonic Anhydrase II V143I variant 07 atm CO2 Descriptor: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... Authors: Kim, C.U, Kim, J.K. Deposit date: 2019-07-30 Release date: 2020-08-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (0.93 Å) Cite: Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
3P58	Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid Descriptor: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid Authors: Aggarwal, M, McKenna, R. Deposit date: 2010-10-08 Release date: 2011-10-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations. Chem.Commun.(Camb.), 48, 2012
2NWZ	Structural and kinetic effects of hydrophobic mutations on the active site of human carbonic anhydrase II Descriptor: SULFATE ION, ZINC ION, carbonic anhydrase 2 Authors: Fisher, S.Z, McKenna, R. Deposit date: 2006-11-16 Release date: 2007-04-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II. Biochemistry, 46, 2007
3P5A	Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... Authors: Aggarwal, M, McKenna, R. Deposit date: 2010-10-08 Release date: 2011-10-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Dithiocarbamates strongly inhibit carbonic anhydrases and show antiglaucoma action in vivo J.Med.Chem., 55, 2012
3P5L	Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate Descriptor: 4-cyano-4-phenylpiperidine-1-carbodithioic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Aggarwal, M, McKenna, R. Deposit date: 2010-10-08 Release date: 2011-10-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations. Chem.Commun.(Camb.), 48, 2012
2NWP	Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II Descriptor: SULFATE ION, ZINC ION, carbonic anhydrase 2 Authors: Fisher, S.Z, McKenna, R. Deposit date: 2006-11-16 Release date: 2007-04-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II. Biochemistry, 46, 2007
2NXS	Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II Descriptor: SULFATE ION, ZINC ION, carbonic anhydrase 2 Authors: Fisher, S.Z, McKenna, R. Deposit date: 2006-11-19 Release date: 2007-04-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II. Biochemistry, 46, 2007
3OIK	Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate Descriptor: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, Carbonic anhydrase 2, GLYCEROL, ... Authors: Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. Deposit date: 2010-08-19 Release date: 2011-07-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
2NWY	Structural and kinetic effects of hydrophobic mutations on the active site of human carbonic anhydrase II Descriptor: ZINC ION, carbonic anhydrase 2 Authors: Fisher, S.Z, McKenna, R. Deposit date: 2006-11-16 Release date: 2007-04-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II. Biochemistry, 46, 2007
3OYS	Human Carbonic Anhydrase II complexed with 2-{[4-AMINO-3-(3-HYDROXYPROP-1-YN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL}-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE Descriptor: 2-phenyl-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Aggarwal, M, McKenna, R. Deposit date: 2010-09-23 Release date: 2011-08-10 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.538 Å) Cite: Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV. J.Med.Chem., 54, 2011
3P44	Human carbonic anhydrase II in complex with p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Salmon, A.J. Deposit date: 2010-10-06 Release date: 2011-10-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012
3P4V	Human carbonic anhydrase II in complex with (+)-Xylariamide A Descriptor: 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine, Carbonic anhydrase 2, ZINC ION Authors: Hofmann, A, Nankervis, T, Davis, R. Deposit date: 2010-10-07 Release date: 2011-04-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases. J.Med.Chem., 54, 2011
2NWO	Structural and kinetic effect of hydrophobic mutations in the active site of human carbonic anhydrase II Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Fisher, S.Z, McKenna, R. Deposit date: 2006-11-16 Release date: 2007-04-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II. Biochemistry, 46, 2007
3P3J	Human carbonic anhydrase II in complex with p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Salmon, A.J. Deposit date: 2010-10-05 Release date: 2011-09-21 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012
2O4Z	Crystal structure of the Carbonic Anhydrase II complexed with hydroxysulfamide inhibitor Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, N-hydroxysulfamide, ... Authors: Temperini, C, Winum, J.Y, Montero, J.L, Scozzafava, a, Supuran, c.t. Deposit date: 2006-12-05 Release date: 2007-05-15 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Carbonic anhydrase inhibitors: The X-ray crystal structure of the adduct of N-hydroxysulfamide with isozyme II explains why this new zinc binding function is effective in the design of potent inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
3PYK	Human Carbonic Anhydrase II as Host for Pianostool Complexes Bearing a Sulfonamide Anchor Descriptor: Carbonic anhydrase 2, METHYL MERCURY ION, SULFATE ION, ... Authors: Heinisch, T, Schirmer, T. Deposit date: 2010-12-13 Release date: 2011-07-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Human Carbonic Anhydrase II as a host for piano-stool complexes bearing a sulfonamide anchor. Chem.Commun.(Camb.), 47, 2011
2Q1B	Carbonic Anhydrase II in Complex with Saccharin Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ... Authors: Klebe, G, Heine, A, Koehler, K. Deposit date: 2007-05-24 Release date: 2007-09-04 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste. Angew.Chem.Int.Ed.Engl., 46, 2007
3PO6	Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide Descriptor: (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, ACETATE ION, ... Authors: Mader, P, Brynda, J, Gitto, R, Agnello, S, Ferro, S, De Luca, L, Vullo, D, Supuran, C.T, Chimirri, A. Deposit date: 2010-11-22 Release date: 2011-04-06 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides. J.Med.Chem., 54, 2011
2Q38	Carbonic Anhydrase II in complex with Saccharin at 1.95 Angstrom Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ... Authors: Schulze Wischeler, J, Heine, A, Klebe, G. Deposit date: 2007-05-30 Release date: 2007-10-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste. Angew.Chem.Int.Ed.Engl., 46, 2007
6MBY	Carbonic Anhydrase II in complex with Ferulic Acid Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Lomelino, C.L, McKenna, R. Deposit date: 2018-08-30 Release date: 2019-03-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.496 Å) Cite: Carbonic anhydrase II in complex with carboxylic acid-based inhibitors. Acta Crystallogr F Struct Biol Commun, 75, 2019
6MBV	Carbonic Anhydrase II in complex with Nicotinic Acid Descriptor: Carbonic anhydrase 2, GLYCEROL, NICOTINIC ACID, ... Authors: Lomelino, C.L, McKenna, R. Deposit date: 2018-08-30 Release date: 2019-03-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.695 Å) Cite: Carbonic anhydrase II in complex with carboxylic acid-based inhibitors. Acta Crystallogr F Struct Biol Commun, 75, 2019

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