3DD8
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![BU of 3dd8 by Molmil](/molmil-images/mine/3dd8) | Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | Descriptor: | 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate, Carbonic anhydrase 2, MERCURY (II) ION, ... | Authors: | Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2008-06-05 | Release date: | 2008-08-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies Bioorg.Med.Chem.Lett., 18, 2008
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3EFI
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![BU of 3efi by Molmil](/molmil-images/mine/3efi) | Carbonic anhydrase activators: Kinetic and X-ray crystallographic study for the interaction of d- and l-tryptophan with the mammalian isoforms I-XIV | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, TRYPTOPHAN, ... | Authors: | Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2008-09-09 | Release date: | 2008-09-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Carbonic anhydrase activators: kinetic and X-ray crystallographic study for the interaction of D- and L-tryptophan with the mammalian isoforms I-XIV Bioorg.Med.Chem., 16, 2008
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3F4X
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![BU of 3f4x by Molmil](/molmil-images/mine/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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3F8E
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![BU of 3f8e by Molmil](/molmil-images/mine/3f8e) | Coumarins are a novel class of suicide carbonic anhydrase inhibitors | Descriptor: | (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid, BENZOIC ACID, Carbonic anhydrase 2, ... | Authors: | Temperini, C, Maresca, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2008-11-12 | Release date: | 2009-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Non-Zinc Mediated Inhibition of Carbonic Anhydrases: Coumarins Are a New Class of Suicide Inhibitors J.Am.Chem.Soc., 131, 2009
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3FFP
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![BU of 3ffp by Molmil](/molmil-images/mine/3ffp) | X ray structure of the complex between carbonic anhydrase II and LC inhibitors | Descriptor: | 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... | Authors: | Temperini, C, Crocetti, L, Scozzafava, A, Supuran, C.T. | Deposit date: | 2008-12-04 | Release date: | 2009-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A thiabendazole sulfonamide shows potent inhibitory activity against mammalian and nematode alpha-carbonic anhydrases Bioorg.Med.Chem.Lett., 19, 2009
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3EFT
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![BU of 3eft by Molmil](/molmil-images/mine/3eft) | Crystal structure of the complex between Carbonic Anhydrase II and a spin-labeled sulfonamide incorporating TEMPO moiety | Descriptor: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | Authors: | Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2008-09-10 | Release date: | 2009-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dissecting the Inhibition Mechanism of Cytosolic versus Transmembrane Carbonic Anhydrases by ESR J.Phys.Chem.B, 113, 2009
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6XZS
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![BU of 6xzs by Molmil](/molmil-images/mine/6xzs) | Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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7NEX
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![BU of 7nex by Molmil](/molmil-images/mine/7nex) | Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | Deposit date: | 2021-02-05 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
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7NG1
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![BU of 7ng1 by Molmil](/molmil-images/mine/7ng1) | Crystal structure of alpha Carbonic anhydrase from Schistoso ma mansoni bound to 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]selenourea | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, GLYCEROL, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | Deposit date: | 2021-02-08 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
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2ABE
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![BU of 2abe by Molmil](/molmil-images/mine/2abe) | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators | Descriptor: | Carbonic anhydrase II, HISTIDINE, MERCURY (II) ION, ... | Authors: | Temperini, C, Scozzafava, A, Puccetti, L, Supuran, C.T. | Deposit date: | 2005-07-15 | Release date: | 2005-10-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with l-histidine as a platform for the design of stronger activators. Bioorg.Med.Chem.Lett., 15, 2005
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6RHK
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![BU of 6rhk by Molmil](/molmil-images/mine/6rhk) | The crystal structure of human carbonic anhydrase II in complex with 4-(3-benzylimidazolidine-1-carbonyl)benzenesulfonamide | Descriptor: | 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | Deposit date: | 2019-04-22 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors. Bioorg.Chem., 91, 2019
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6RHJ
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![BU of 6rhj by Molmil](/molmil-images/mine/6rhj) | Crystal structure of human carbonic anhydrase isozyme II with 4-(4-benzyl-1,4-diazepane-1-carbonyl)benzenesulfonamide | Descriptor: | 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | Deposit date: | 2019-04-21 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors. Bioorg.Chem., 91, 2019
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4M2W
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![BU of 4m2w by Molmil](/molmil-images/mine/4m2w) | Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4M2U
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![BU of 4m2u by Molmil](/molmil-images/mine/4m2u) | Carbonic Anhydrase II in complex with Dorzolamide | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4M2R
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![BU of 4m2r by Molmil](/molmil-images/mine/4m2r) | 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: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4M2V
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![BU of 4m2v by Molmil](/molmil-images/mine/4m2v) | Genetically engineered Carbonic Anhydrase IX 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: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.718 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4O1K
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![BU of 4o1k by Molmil](/molmil-images/mine/4o1k) | Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. | Descriptor: | Carbonic anhydrase, ZINC ION | Authors: | Lehneck, R, Neumann, P, Vullo, D, Elleuche, S, Supuran, C.T, Ficner, R, Poggeler, S. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. Febs J., 281, 2014
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3PO6
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![BU of 3po6 by Molmil](/molmil-images/mine/3po6) | Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide | Descriptor: | (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, ACETATE ION, ... | Authors: | Mader, P, Brynda, J, Gitto, R, Agnello, S, Ferro, S, De Luca, L, Vullo, D, Supuran, C.T, Chimirri, A. | Deposit date: | 2010-11-22 | Release date: | 2011-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides. J.Med.Chem., 54, 2011
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6I0L
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![BU of 6i0l by Molmil](/molmil-images/mine/6i0l) | Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea, ACETATE ION, Carbonic anhydrase 1, ... | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | Deposit date: | 2018-10-26 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells. Eur.J.Med.Chem., 182, 2019
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3R16
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![BU of 3r16 by Molmil](/molmil-images/mine/3r16) | Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Biswas, S, McKenna, R, Supuran, C.T. | Deposit date: | 2011-03-09 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms. Bioorg.Med.Chem., 19, 2011
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6I0J
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![BU of 6i0j by Molmil](/molmil-images/mine/6i0j) | Crystal structure of human carbonic anhydrase I in complex with the 4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl sulfamate inhibitor | Descriptor: | ACETATE ION, Carbonic anhydrase 1, GLYCEROL, ... | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | Deposit date: | 2018-10-26 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells. Eur.J.Med.Chem., 182, 2019
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6IC2
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![BU of 6ic2 by Molmil](/molmil-images/mine/6ic2) | Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII | Descriptor: | Carbonic anhydrase 2, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, ZINC ION | Authors: | Angeli, A, Ferraroni, M, Supuran, C.T, Carta, F. | Deposit date: | 2018-12-01 | Release date: | 2019-05-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII. Chem.Commun.(Camb.), 55, 2019
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6H37
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![BU of 6h37 by Molmil](/molmil-images/mine/6h37) | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide | Descriptor: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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6H38
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![BU of 6h38 by Molmil](/molmil-images/mine/6h38) | The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | Descriptor: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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6H36
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![BU of 6h36 by Molmil](/molmil-images/mine/6h36) | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | Descriptor: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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