2WD2
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![BU of 2wd2 by Molmil](/molmil-images/mine/2wd2) | A chimeric microtubule disruptor with efficacy on a taxane resistant cell line | Descriptor: | 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | Authors: | Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L. | Deposit date: | 2009-03-19 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Chimeric Microtubule Disruptors. Chem.Commun.(Camb.), 46, 2010
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2QOA
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5WEX
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![BU of 5wex by Molmil](/molmil-images/mine/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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2WEO
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![BU of 2weo by Molmil](/molmil-images/mine/2weo) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-04-01 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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5WLV
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![BU of 5wlv by Molmil](/molmil-images/mine/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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5YUJ
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5WGP
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![BU of 5wgp by Molmil](/molmil-images/mine/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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5WLR
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2W2J
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![BU of 2w2j by Molmil](/molmil-images/mine/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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5W8B
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![BU of 5w8b by Molmil](/molmil-images/mine/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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2WD3
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![BU of 2wd3 by Molmil](/molmil-images/mine/2wd3) | Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors based on a Biphenyl Template | Descriptor: | 3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE, CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Woo, L.W.L, Jackson, T, Putey, A, Cozier, G, Leonard, P, Acharya, K.R, Chander, S.K, Purohit, A, Reed, M.J, Potter, B.V.L. | Deposit date: | 2009-03-19 | Release date: | 2010-02-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors Based on a Biphenyl Template. J.Med.Chem., 53, 2010
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5YUI
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![BU of 5yui by Molmil](/molmil-images/mine/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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2WEJ
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![BU of 2wej by Molmil](/molmil-images/mine/2wej) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ... | 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 (1.45 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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5ZXW
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![BU of 5zxw by Molmil](/molmil-images/mine/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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1LZV
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![BU of 1lzv by Molmil](/molmil-images/mine/1lzv) | Site-Specific Mutant (Tyr7 replaced with His) of Human Carbonic Anhydrase II | Descriptor: | Carbonic Anhydrase II, ZINC ION | Authors: | Tu, C.K, Qian, M, An, H, Wadhwa, N.R, Duda, D.M, Yoshioka, C, Pathak, Y, McKenna, R, Laipis, P.J, Silverman, D.N. | Deposit date: | 2002-06-11 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinetic analysis of multiple proton shuttles in the active site of human carbonic anhydrase. J.Biol.Chem., 277, 2002
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1LG5
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![BU of 1lg5 by Molmil](/molmil-images/mine/1lg5) | Crystal Structure Analysis of the HCA II Mutant T199P in complex with beta-mercaptoethanol | Descriptor: | BETA-MERCAPTOETHANOL, Carbonic anhydrase II, ZINC ION | Authors: | Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H. | Deposit date: | 2002-04-15 | Release date: | 2002-07-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant. Biochemistry, 41, 2002
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1LGD
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![BU of 1lgd by Molmil](/molmil-images/mine/1lgd) | Crystal Structure Analysis of HCA II Mutant T199P in Complex with Bicarbonate | Descriptor: | BICARBONATE ION, Carbonic anhydrase II, ZINC ION | Authors: | Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H. | Deposit date: | 2002-04-15 | Release date: | 2002-07-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant. Biochemistry, 41, 2002
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1XPZ
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![BU of 1xpz by Molmil](/molmil-images/mine/1xpz) | Structure of human carbonic anhydrase II with 4-[4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole | Descriptor: | 4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE, Carbonic anhydrase II, ZINC ION | Authors: | Lloyd, M.D, Thiyagarajan, N, Ho, Y.T, Woo, L.W.L, Sutcliffe, O.B, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2004-10-11 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry, 44, 2005
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1KOQ
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![BU of 1koq by Molmil](/molmil-images/mine/1koq) | NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE | Descriptor: | CARBONIC ANHYDRASE, ZINC ION | Authors: | Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H. | Deposit date: | 1998-03-22 | Release date: | 1998-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide. J.Mol.Biol., 283, 1998
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1KWQ
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![BU of 1kwq by Molmil](/molmil-images/mine/1kwq) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07 | Descriptor: | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE, Carbonic anhydrase II, MERCURY (II) ION, ... | Authors: | Grueneberg, S, Stubbs, M.T. | Deposit date: | 2002-01-30 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J.Med.Chem., 45, 2002
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1KWR
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![BU of 1kwr by Molmil](/molmil-images/mine/1kwr) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36 | Descriptor: | 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE, Carbonic anhydrase II, ZINC ION | Authors: | Grueneberg, S, Stubbs, M.T. | Deposit date: | 2002-01-30 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J.Med.Chem., 45, 2002
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1MUA
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1YDD
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![BU of 1ydd by Molmil](/molmil-images/mine/1ydd) | 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 (2.1 Å) | Cite: | Structural basis of inhibitor affinity to variants of human carbonic anhydrase II. Biochemistry, 34, 1995
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1YDB
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![BU of 1ydb by Molmil](/molmil-images/mine/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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1LG6
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![BU of 1lg6 by Molmil](/molmil-images/mine/1lg6) | Crystal Structure Analysis of HCA II Mutant T199P in Complex with Thiocyanate | Descriptor: | Carbonic anhydrase II, THIOCYANATE ION, ZINC ION | Authors: | Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H. | Deposit date: | 2002-04-15 | Release date: | 2002-07-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant. Biochemistry, 41, 2002
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