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1BV3
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BU of 1bv3 by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ...
Authors:Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T.
Deposit date:1998-09-22
Release date:1999-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction?
J.Biol.Inorg.Chem., 4, 1999
1AVN
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BU of 1avn by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR
Descriptor: AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ...
Authors:Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T.
Deposit date:1997-09-17
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine.
Biochemistry, 36, 1997
2W3N
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BU of 2w3n by Molmil
Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans
Descriptor: ACETATE ION, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C.
Deposit date:2008-11-13
Release date:2008-12-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans.
J. Mol. Biol., 385, 2009
2W3Q
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BU of 2w3q by Molmil
Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans
Descriptor: CARBONIC ANHYDRASE 2, CHLORIDE ION, ZINC ION
Authors:Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C.
Deposit date:2008-11-14
Release date:2008-12-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure and Inhibition of the Co(2)-Sensing Carbonic Anhydrase Can2 from the Pathogenic Fungus Cryptococcus Neoformans.
J.Mol.Biol., 385, 2009
1F2W
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BU of 1f2w by Molmil
THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ...
Authors:Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S.
Deposit date:2000-05-30
Release date:2000-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction.
Biochemistry, 39, 2000
1NO9
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BU of 1no9 by Molmil
Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha Thrombin, N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE, ...
Authors:De Simone, G, Menchise, V, Omaggio, S, Pedone, C, Scozzafava, A, Supuran, C.T.
Deposit date:2003-01-16
Release date:2003-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DESIGN OF WEAKLY BASIC THROMBIN INHIBITORS INCORPORATING NOVEL P1 BINDING FUNCTIONS: MOLECULAR AND X-RAY CRYSTALLOGRAPHIC STUDIES
Biochemistry, 42, 2003
1OQ5
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BU of 1oq5 by Molmil
CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
Descriptor: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION
Authors:Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G.
Deposit date:2003-03-07
Release date:2004-03-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
J.Med.Chem., 47, 2004
1J9W
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BU of 1j9w by Molmil
Solution Structure of the CAI Michigan 1 Variant
Descriptor: 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, ZINC ION
Authors:Briganti, F, Ferraroni, M, Chedwiggen, W.R, Scozzafava, A, Supuran, C.T, Tilli, S.
Deposit date:2001-05-29
Release date:2001-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination.
Biochemistry, 41, 2002
1JV0
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BU of 1jv0 by Molmil
THE CRYSTAL STRUCTURE OF THE ZINC(II) ADDUCT OF THE CAI MICHIGAN 1 VARIANT
Descriptor: 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, CHLORIDE ION, ...
Authors:Briganti, F, Ferraroni, M, Chegwidden, W.R, Scozzafava, A, Supuran, C.T, Tilli, S.
Deposit date:2001-08-28
Release date:2001-09-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination
Biochemistry, 41, 2002
4CQ0
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BU of 4cq0 by Molmil
Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes
Descriptor: 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ...
Authors:Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S.
Deposit date:2014-02-10
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes.
J.Med.Chem., 57, 2014
2ABE
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BU of 2abe by Molmil
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
1ZGF
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BU of 1zgf by Molmil
carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE, Carbonic anhydrase II, ...
Authors:Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
Deposit date:2005-04-21
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor
To be Published
1ZGE
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BU of 1zge by Molmil
carbonic anhydrase II in complex with p-Sulfonamido-o,o'-dichloroaniline as sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE, Carbonic anhydrase II, ...
Authors:Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
Deposit date:2005-04-21
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:carbonic anhydrase II in complex with p-Sulfonamido-o,o'-dichloroaniline as sulfonamide inhibitor
To be Published
1ZFQ
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BU of 1zfq by Molmil
carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Carbonic anhydrase II, ...
Authors:Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
Deposit date:2005-04-20
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor
To be Published
1ZFK
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BU of 1zfk by Molmil
carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase II, GLYCEROL, ...
Authors:Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
Deposit date:2005-04-20
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor
To be Published
1Z9Y
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BU of 1z9y by Molmil
carbonic anhydrase II in complex with furosemide as sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Carbonic anhydrase II, ...
Authors:Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
Deposit date:2005-04-05
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:carbonic anhydrase II in complex with furosemide as sulfonamide inhibitor
To be Published
1ZH9
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BU of 1zh9 by Molmil
carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase II, ...
Authors:Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
Deposit date:2005-04-23
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
To be Published
1ZE8
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BU of 1ze8 by Molmil
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
2AW1
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BU of 2aw1 by Molmil
Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II "selective" inhibitor Celecoxib
Descriptor: 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ...
Authors:Di Fiore, A, Pedone, C, D'Ambrosio, K, Scozzafava, A, De Simone, G, Supuran, C.T.
Deposit date:2005-08-31
Release date:2006-07-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II
Bioorg.Med.Chem.Lett., 16, 2006
5WGP
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BU of 5wgp by Molmil
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
5WEX
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BU of 5wex by Molmil
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
7BM4
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BU of 7bm4 by Molmil
Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulphamoylphenyl)selenourea
Descriptor: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ...
Authors:Ferraroni, M, Angeli, A, Supuran, C.T.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
6G3Q
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BU of 6g3q by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Ferraroni, M, Supuran, C.T, Angeli, A.
Deposit date:2018-03-26
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
6G3V
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BU of 6g3v by Molmil
Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine
Descriptor: Carbonic anhydrase 1, GLYCEROL, ZINC ION, ...
Authors:Ferraroni, M, Supuran, C.T, Angeli, A.
Deposit date:2018-03-26
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
6GOT
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BU of 6got by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide
Descriptor: 4-(2-phenylethylsulfanyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.T, Angeli, A.
Deposit date:2018-06-04
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism.
Bioorg. Chem., 81, 2018

217705

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