3BET
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![BU of 3bet by Molmil](/molmil-images/mine/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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3B1B
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2ZNC
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![BU of 2znc by Molmil](/molmil-images/mine/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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3BL0
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![BU of 3bl0 by Molmil](/molmil-images/mine/3bl0) | Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | Descriptor: | 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Temperini, C, Supuran, C.T, Blackburn, G.M. | Deposit date: | 2007-12-10 | Release date: | 2008-01-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase inhibitors. Interaction of 2-N,N-dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies. Bioorg.Med.Chem.Lett., 18, 2008
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2HL4
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![BU of 2hl4 by Molmil](/molmil-images/mine/2hl4) | Crystal structure analysis of human carbonic anhydrase II in complex with a benzenesulfonamide derivative | Descriptor: | CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Di Fiore, A, Supuran, C.T, Winum, J.-Y, Montero, J.-L, Pedone, C, Scozzafava, A, De Simone, G. | Deposit date: | 2006-07-06 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties Bioorg.Med.Chem.Lett., 17, 2007
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3BL1
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![BU of 3bl1 by Molmil](/molmil-images/mine/3bl1) | Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications | Descriptor: | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | Authors: | Temperini, C, Cecchi, A, Supuran, C.T. | Deposit date: | 2007-12-10 | Release date: | 2008-07-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct. Bioorg.Med.Chem.Lett., 18, 2008
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3C7P
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![BU of 3c7p by Molmil](/molmil-images/mine/3c7p) | Crystal structure of human carbonic anhydrase II in complex with STX237 | Descriptor: | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate, CHLORIDE ION, Carbonic anhydrase 2, ... | Authors: | Di Fiore, A, De Simone, G. | Deposit date: | 2008-02-08 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography Mol.Cancer Ther., 7, 2008
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3CA2
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![BU of 3ca2 by Molmil](/molmil-images/mine/3ca2) | 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: | 3-MERCURI-4-AMINOBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Eriksson, A.E, Jones, T.A, Liljas, A. | Deposit date: | 1989-10-02 | Release date: | 1990-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 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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3CAJ
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![BU of 3caj by Molmil](/molmil-images/mine/3caj) | Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ... | Authors: | Di Fiore, A, De Simone, G. | Deposit date: | 2008-02-20 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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2HFW
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![BU of 2hfw by Molmil](/molmil-images/mine/2hfw) | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III | Descriptor: | Carbonic anhydrase 3, ZINC ION | Authors: | Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N. | Deposit date: | 2006-06-26 | Release date: | 2007-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III. Proteins, 68, 2007
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2HOC
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![BU of 2hoc by Molmil](/molmil-images/mine/2hoc) | Crystal structure of the human carbonic anhydrase II in complex with the 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide inhibitor | Descriptor: | 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Menchise, V, Di Fiore, A, De Simone, G. | Deposit date: | 2006-07-14 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II. Bioorg.Med.Chem.Lett., 16, 2006
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3CYU
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![BU of 3cyu by Molmil](/molmil-images/mine/3cyu) | Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon | Descriptor: | Carbonic anhydrase 2, MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-A, PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A, ... | Authors: | Aaron, J.A, Jude, K.M, Di Costanzo, L, Christianson, D.W. | Deposit date: | 2008-04-26 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a 129Xe-cryptophane biosensor complexed with human carbonic anhydrase II. J.Am.Chem.Soc., 130, 2008
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3V3I
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3V7X
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![BU of 3v7x by Molmil](/molmil-images/mine/3v7x) | Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Mader, P, Brynda, J, Rezacova, P. | Deposit date: | 2011-12-22 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. J.Med.Chem., 55, 2012
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3VBD
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![BU of 3vbd by Molmil](/molmil-images/mine/3vbd) | Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | Descriptor: | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Mader, P, Brynda, J, Rezacova, P. | Deposit date: | 2012-01-02 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. J.Med.Chem., 55, 2012
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3W6H
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![BU of 3w6h by Molmil](/molmil-images/mine/3w6h) | Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide | Descriptor: | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 1, ... | Authors: | Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. | Deposit date: | 2013-02-14 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.964 Å) | Cite: | Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
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3W6I
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![BU of 3w6i by Molmil](/molmil-images/mine/3w6i) | Crystal structure of 19F probe-labeled hCAI | Descriptor: | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION | Authors: | Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. | Deposit date: | 2013-02-14 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
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3ZP9
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3V5G
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3V3H
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3ZNC
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![BU of 3znc by Molmil](/molmil-images/mine/3znc) | MURINE CARBONIC ANHYDRASE IV COMPLEXED 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 IV, ZINC ION | Authors: | Stams, T, Chen, Y, Christianson, D.W. | Deposit date: | 1998-02-10 | Release date: | 1999-03-23 | Last modified: | 2011-07-13 | 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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3V3G
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3UYQ
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![BU of 3uyq by Molmil](/molmil-images/mine/3uyq) | HCA 3 | Descriptor: | Carbonic anhydrase 3, ZINC ION | Authors: | Fisher, Z, McKenna, R. | Deposit date: | 2011-12-06 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III. Proteins, 68, 2007
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8BOE
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8BJX
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