2X7T
| Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | Descriptor: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2010-03-03 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010
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8EXC
| Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ... | Authors: | Kohlbrand, A.J, O'Herin, C.B. | Deposit date: | 2022-10-25 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of Human Carbonic Anhydrase II Heterobifunctional Degraders. J.Med.Chem., 2023
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1TG9
| Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-28 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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1RAZ
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3F4X
| Carbonic anhydrase inhibitors. Comparison of chlorthalidone and indapamide X-ray crystal structures in adducts with isozyme II: when three water molecules make the difference | Descriptor: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | Authors: | Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2008-11-03 | Release date: | 2009-03-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase inhibitors. Comparison of chlorthalidone and indapamide X-ray crystal structures in adducts with isozyme II: when three water molecules and the keto-enol tautomerism make the difference. J.Med.Chem., 52, 2009
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1BIC
| CRYSTALLOGRAPHIC ANALYSIS OF THR-200-> HIS HUMAN CARBONIC ANHYDRASE II AND ITS COMPLEX WITH THE SUBSTRATE, HCO3- | Descriptor: | BICARBONATE ION, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... | Authors: | Xue, Y, Vidgren, J, Svensson, L.A, Liljas, A, Jonsson, B.-H, Lindskog, S. | Deposit date: | 1992-09-01 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic analysis of Thr-200-->His human carbonic anhydrase II and its complex with the substrate, HCO3-. Proteins, 15, 1993
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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
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6E8P
| CA IX mimic Complexed with Steroidal Sulfamate Compound STX 49 | Descriptor: | (14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate, Carbonic anhydrase 2, ZINC ION | Authors: | Andring, J.T, Mckenna, R. | Deposit date: | 2018-07-30 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity. J. Med. Chem., 62, 2019
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1RZE
| X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES | Descriptor: | CARBONIC ANHYDRASE II, NICKEL (II) ION, SULFATE ION | Authors: | Hakansson, K, Wehnert, A, Liljas, A. | Deposit date: | 1993-05-25 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray analysis of metal-substituted human carbonic anhydrase II derivatives. Acta Crystallogr.,Sect.D, 50, 1994
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1RZD
| X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES | Descriptor: | CARBONIC ANHYDRASE II, MANGANESE (II) ION, SULFATE ION | Authors: | Hakansson, K, Wehnert, A, Liljas, A. | Deposit date: | 1993-05-25 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray analysis of metal-substituted human carbonic anhydrase II derivatives. Acta Crystallogr.,Sect.D, 50, 1994
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1F2W
| THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ... | Authors: | Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S. | Deposit date: | 2000-05-30 | Release date: | 2000-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction. Biochemistry, 39, 2000
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3MHL
| Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | Descriptor: | 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | Deposit date: | 2010-04-08 | Release date: | 2010-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
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3K7K
| Crystal structure of the complex between Carbonic Anhydrase II and anions | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, ZINC ION, ... | Authors: | Temperini, C. | Deposit date: | 2009-10-13 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase inhibitors. X-ray crystal studies of the carbonic anhydrase II-trithiocarbonate adduct-An inhibitor mimicking the sulfonamide and urea binding to the enzyme Bioorg.Med.Chem.Lett., 20, 2010
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1CRA
| THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE | Descriptor: | 1,2,4-TRIAZOLE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Mangani, S, Liljas, A. | Deposit date: | 1992-10-21 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the complex between human carbonic anhydrase II and the aromatic inhibitor 1,2,4-triazole. J.Mol.Biol., 232, 1993
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1CNX
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2H4N
| H94N CARBONIC ANHYDRASE II COMPLEXED WITH ACETAZOLAMIDE | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, ZINC ION | Authors: | Lesburg, C.A, Christianson, D.W. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity. Biochemistry, 36, 1997
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2HKK
| Carbonic anhydrase activators: Solution and X-ray crystallography for the interaction of andrenaline with various carbonic anhydrase isoforms | Descriptor: | Carbonic anhydrase 2, L-EPINEPHRINE, MERCURY (II) ION, ... | Authors: | Temperini, C, Innocenti, A, Vullo, D, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-07-05 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase activators: L-Adrenaline plugs the active site entrance of isozyme II, activating better isoforms I, IV, VA, VII, and XIV. Bioorg.Med.Chem.Lett., 17, 2007
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1RZA
| X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES | Descriptor: | CARBONIC ANHYDRASE II, COBALT (II) ION, OXYGEN MOLECULE | Authors: | Hakansson, K, Wehnert, A, Liljas, A. | Deposit date: | 1993-05-25 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray analysis of metal-substituted human carbonic anhydrase II derivatives. Acta Crystallogr.,Sect.D, 50, 1994
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1RZC
| X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES | Descriptor: | CARBONIC ANHYDRASE II, COPPER (II) ION, OXYGEN MOLECULE | Authors: | Hakansson, K, Wehnert, A, Liljas, A. | Deposit date: | 1993-05-25 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray analysis of metal-substituted human carbonic anhydrase II derivatives. Acta Crystallogr.,Sect.D, 50, 1994
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1CAK
| STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II | Descriptor: | CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION | Authors: | Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S. | Deposit date: | 1992-09-17 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II. Proteins, 17, 1993
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1CAJ
| STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II | Descriptor: | CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION | Authors: | Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S. | Deposit date: | 1992-09-17 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II. Proteins, 17, 1993
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2CA2
| CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ... | Authors: | Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A. | Deposit date: | 1989-02-06 | Release date: | 1990-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH. Proteins, 4, 1988
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1YDB
| STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Nair, S.K, Christianson, D.W. | Deposit date: | 1994-12-22 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of inhibitor affinity to variants of human carbonic anhydrase II. Biochemistry, 34, 1995
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2H15
| Carbonic anhydrase inhibitors: Clashing with Ala65 as a means of designing isozyme-selective inhibitors that show low affinity for the ubiquitous isozyme II | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE, ... | Authors: | Winum, J.Y, Temperini, C, Ciattini, S, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-05-16 | Release date: | 2007-03-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue. J.Med.Chem., 49, 2006
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1CAO
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