4R5A
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3KIG
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![BU of 3kig by Molmil](/molmil-images/mine/3kig) | Mutant carbonic anhydrase II in complex with an azide and an alkyne | Descriptor: | 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G. | Deposit date: | 2009-11-02 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry. Chemistry, 17, 2011
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3KOK
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3KWA
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![BU of 3kwa by Molmil](/molmil-images/mine/3kwa) | Polyamines inhibit carbonic anhydrases | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, SPERMINE, ... | Authors: | Temperini, C. | Deposit date: | 2009-12-01 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule J.Med.Chem., 53, 2010
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3LXE
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![BU of 3lxe by Molmil](/molmil-images/mine/3lxe) | Human Carbonic Anhydrase I in complex with topiramate | Descriptor: | Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | Authors: | Alterio, V, De Simone, G, Monti, S.M, Truppo, E. | Deposit date: | 2010-02-25 | Release date: | 2010-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex. Org.Biomol.Chem., 2010
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3M3X
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![BU of 3m3x by Molmil](/molmil-images/mine/3m3x) | Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide | Descriptor: | 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | Deposit date: | 2010-03-10 | Release date: | 2010-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.68 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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3M14
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![BU of 3m14 by Molmil](/molmil-images/mine/3m14) | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ... | Authors: | Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. | Deposit date: | 2010-03-04 | Release date: | 2011-05-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structural investigation and inhibitor studies on Carbonic Anhydrase II To be Published
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3M1J
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3M5E
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![BU of 3m5e by Molmil](/molmil-images/mine/3m5e) | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide | Descriptor: | 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | Deposit date: | 2010-03-12 | Release date: | 2010-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 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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3M98
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3MDZ
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![BU of 3mdz by Molmil](/molmil-images/mine/3mdz) | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | Authors: | Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 to be published
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3MHC
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![BU of 3mhc by Molmil](/molmil-images/mine/3mhc) | Crystal structure of human cabonic anhydrase II in adduct with an adamantyl analogue of acetazolamide in a novel hydrophobic binding pocket | Descriptor: | (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, ZINC ION | Authors: | Avvaru, B.S. | Deposit date: | 2010-04-07 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3ML5
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![BU of 3ml5 by Molmil](/molmil-images/mine/3ml5) | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 7, ZINC ION | Authors: | Di Fiore, A, Truppo, E, Supuran, C.T, Alterio, V, Dathan, N, Bootorabi, F, Parkkila, S, Monti, S.M, De Simone, G. | Deposit date: | 2010-04-16 | Release date: | 2011-03-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide Bioorg.Med.Chem.Lett., 20, 2010
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3M1K
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![BU of 3m1k by Molmil](/molmil-images/mine/3m1k) | Carbonic Anhydrase in complex with fragment | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ... | Authors: | Schulze Wischeler, J, Heine, A, Klebe, G. | Deposit date: | 2010-03-05 | Release date: | 2010-11-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry. Chemmedchem, 5, 2010
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3M2Y
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3MNA
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![BU of 3mna by Molmil](/molmil-images/mine/3mna) | The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-21 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3MNI
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![BU of 3mni by Molmil](/molmil-images/mine/3mni) | Human Carbonic Anhydrase II Mutant K170D | Descriptor: | Carbonic anhydrase 2, SODIUM ION, ZINC ION | Authors: | Domsic, J.F, McKenna, R. | Deposit date: | 2010-04-21 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II. Biochemistry, 49, 2010
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3MMF
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![BU of 3mmf by Molmil](/molmil-images/mine/3mmf) | Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-19 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3MHI
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![BU of 3mhi by Molmil](/molmil-images/mine/3mhi) | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide | Descriptor: | 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-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 (1.7 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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3M2X
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3MHO
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![BU of 3mho by Molmil](/molmil-images/mine/3mho) | Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide | Descriptor: | 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D, Sukackaite, R. | Deposit date: | 2010-04-08 | Release date: | 2010-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.15 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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3JXH
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![BU of 3jxh by Molmil](/molmil-images/mine/3jxh) | CA-like domain of human PTPRG | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION | Authors: | Bouyain, S. | Deposit date: | 2009-09-19 | Release date: | 2009-12-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules. Proc.Natl.Acad.Sci.USA, 107, 2010
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3K7K
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![BU of 3k7k by Molmil](/molmil-images/mine/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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3JXG
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![BU of 3jxg by Molmil](/molmil-images/mine/3jxg) | CA-like domain of mouse PTPRG | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma | Authors: | Bouyain, S. | Deposit date: | 2009-09-19 | Release date: | 2009-12-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules. Proc.Natl.Acad.Sci.USA, 107, 2010
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3ML2
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![BU of 3ml2 by Molmil](/molmil-images/mine/3ml2) | Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor | Descriptor: | 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations. Bioorg.Med.Chem., 18, 2010
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