2W2J
| Crystal structure of the human carbonic anhydrase related protein VIII | Descriptor: | CARBONIC ANHYDRASE-RELATED PROTEIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Kramm, A, Muniz, J.R.C, Picaud, S.S, von Delft, F, Pilka, E.S, Yue, W.W, King, O.N.F, Kochan, G, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2008-10-31 | Release date: | 2009-02-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Human Carbonic Anhydrase-Related Protein Viii Reveals the Basis for Catalytic Silencing. Proteins, 76, 2009
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2WEG
| Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEH
| Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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5WG7
| Human Carbonic Anhydrase II complexed with AceK | Descriptor: | Acesulfame, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | Deposit date: | 2017-07-13 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J. Med. Chem., 61, 2018
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5WLU
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5WGP
| Human Carbonic Anhydrase IX-mimic complexed with AceK | Descriptor: | Acesulfame, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | Deposit date: | 2017-07-14 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J. Med. Chem., 61, 2018
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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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5WEX
| Discovery of new selenoureido analogs of 4-(4-fluorophenylureido) benzenesulfonamides as carbonic anhydrase inhibitors | Descriptor: | 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Angeli, A, Tanini, D, Peat, T.S, Di Cesare Mannelli, L, Bartolucci, G, Capperucci, A, Ghelardini, C, Supuran, C.T, Carta, F. | Deposit date: | 2017-07-10 | Release date: | 2017-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8, 2017
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5WLV
| Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide | Descriptor: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | Deposit date: | 2017-07-27 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J. Med. Chem., 61, 2018
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5W8B
| Carbonic anhydrase II in complex with activating histamine pyridinium derivative | Descriptor: | 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Bhatt, A, Ilies, M, McKenna, R. | Deposit date: | 2017-06-21 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function. Mol. Neurobiol., 55, 2018
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5WLR
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2X7U
| Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | Descriptor: | (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, 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 (2.12 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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5WLT
| Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide | Descriptor: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | Deposit date: | 2017-07-27 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J. Med. Chem., 61, 2018
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2X7S
| Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | Descriptor: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE, 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 (1.64 Å) | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Nonsteroidal Inhibitors. Biochemistry, 49, 2010
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5Y2R
| 2.5 atm CO2-pressurized human carbonic anhydrase II | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y. | Deposit date: | 2017-07-27 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Active-site solvent replenishment observed during human carbonic anhydrase II catalysis. IUCrJ, 5, 2018
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5Y2S
| 7.0 atm CO2-pressurized human carbonic anhydrase II | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y. | Deposit date: | 2017-07-27 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Active-site solvent replenishment observed during human carbonic anhydrase II catalysis. IUCrJ, 5, 2018
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5YUK
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5YUI
| CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y, McKenna, R. | Deposit date: | 2017-11-22 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5YUJ
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2ZNC
| MURINE CARBONIC ANHYDRASE IV | Descriptor: | CARBONIC ANHYDRASE IV, ZINC ION | Authors: | Stams, T, Chen, Y, Christianson, D.W. | Deposit date: | 1998-02-10 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
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5ZXW
| Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION | Authors: | Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T. | Deposit date: | 2018-05-22 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.316 Å) | Cite: | Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization Cryst.Growth Des., 19, 2019
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3B4F
| Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | Descriptor: | 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | Authors: | Guzel, o, Temperini, c, Innocenti, a, Scozzafava, A, Salman, a, Supuran, c.t. | Deposit date: | 2007-10-24 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies. Bioorg.Med.Chem.Lett., 18, 2008
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3BET
| Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution | Descriptor: | (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Di Fiore, A, De Simone, G. | Deposit date: | 2007-11-20 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents J.Med.Chem., 51, 2008
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6BBS
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, Aggarwal, M, McKenna, R. | Deposit date: | 2017-10-19 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6B00
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