5TFX
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6D1M
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![BU of 6d1m by Molmil](/molmil-images/mine/6d1m) | Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects | Descriptor: | 4-(cyclohexylselanyl)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T. | Deposit date: | 2018-04-12 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects. Eur J Med Chem, 154, 2018
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2HKK
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![BU of 2hkk by Molmil](/molmil-images/mine/2hkk) | Carbonic anhydrase activators: Solution and X-ray crystallography for the interaction of andrenaline with various carbonic anhydrase isoforms | Descriptor: | Carbonic anhydrase 2, L-EPINEPHRINE, MERCURY (II) ION, ... | Authors: | Temperini, C, Innocenti, A, Vullo, D, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-07-05 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase activators: L-Adrenaline plugs the active site entrance of isozyme II, activating better isoforms I, IV, VA, VII, and XIV. Bioorg.Med.Chem.Lett., 17, 2007
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2H15
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![BU of 2h15 by Molmil](/molmil-images/mine/2h15) | Carbonic anhydrase inhibitors: Clashing with Ala65 as a means of designing isozyme-selective inhibitors that show low affinity for the ubiquitous isozyme II | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE, ... | Authors: | Winum, J.Y, Temperini, C, Ciattini, S, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-05-16 | Release date: | 2007-03-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue. J.Med.Chem., 49, 2006
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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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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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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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3IEO
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![BU of 3ieo by Molmil](/molmil-images/mine/3ieo) | The coumarin-binding site in carbonic anhydrase: the antiepileptic lacosamide as an example | Descriptor: | BENZOIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ... | Authors: | Temperini, C, Innocenti, A, Scozzafava, A, Parkkila, S, Supuran, C.T. | Deposit date: | 2009-07-23 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors J.Med.Chem., 53, 2010
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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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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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5G03
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![BU of 5g03 by Molmil](/molmil-images/mine/5g03) | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | Descriptor: | CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SULFATE ION, ... | Authors: | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | Deposit date: | 2016-03-16 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
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5G01
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![BU of 5g01 by Molmil](/molmil-images/mine/5g01) | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | Descriptor: | CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SODIUM ION, ... | Authors: | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | Deposit date: | 2016-03-16 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
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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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2O4Z
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![BU of 2o4z by Molmil](/molmil-images/mine/2o4z) | Crystal structure of the Carbonic Anhydrase II complexed with hydroxysulfamide inhibitor | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, N-hydroxysulfamide, ... | Authors: | Temperini, C, Winum, J.Y, Montero, J.L, Scozzafava, a, Supuran, c.t. | Deposit date: | 2006-12-05 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Carbonic anhydrase inhibitors: The X-ray crystal structure of the adduct of N-hydroxysulfamide with isozyme II explains why this new zinc binding function is effective in the design of potent inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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1ZE8
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![BU of 1ze8 by Molmil](/molmil-images/mine/1ze8) | Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor | Descriptor: | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ... | Authors: | Menchise, V, De Simone, G, Alterio, V, Di Fiore, A, Pedone, C, Scozzafava, A, Supuran, C.T. | Deposit date: | 2005-04-18 | Release date: | 2005-10-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II J.Med.Chem., 48, 2005
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6RG3
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![BU of 6rg3 by Molmil](/molmil-images/mine/6rg3) | Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzylpiperazin-1-yl)benzenesulfonamide | Descriptor: | 4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.32 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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6RG4
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![BU of 6rg4 by Molmil](/molmil-images/mine/6rg4) | Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzyl-4-methylpiperazin-1-yl)benzenesulfonamide | Descriptor: | 4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 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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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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2Q1Q
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![BU of 2q1q by Molmil](/molmil-images/mine/2q1q) | Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, SULTHIAME, ... | Authors: | Temperini, C, Innocenti, A, Mastrolorenzo, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2007-05-25 | Release date: | 2007-09-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: Kinetic and X-ray crystallographic studies. Bioorg.Med.Chem.Lett., 17, 2007
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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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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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3HFP
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5G0C
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![BU of 5g0c by Molmil](/molmil-images/mine/5g0c) | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | Descriptor: | CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ... | Authors: | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | Deposit date: | 2016-03-17 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
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