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PDB: 115 件
1J9W
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Solution Structure of the CAI Michigan 1 Variant
分子名称: 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, ZINC ION
著者Briganti, F, Ferraroni, M, Chedwiggen, W.R, Scozzafava, A, Supuran, C.T, Tilli, S.
登録日2001-05-29
公開日2001-06-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
1OQ5
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CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
分子名称: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION
著者Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G.
登録日2003-03-07
公開日2004-03-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
1F2W
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THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ...
著者Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S.
登録日2000-05-30
公開日2000-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction.
Biochemistry, 39, 2000
1AVN
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HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR
分子名称: AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ...
著者Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T.
登録日1997-09-17
公開日1997-12-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine.
Biochemistry, 36, 1997
1BV3
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HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ...
著者Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T.
登録日1998-09-22
公開日1999-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction?
J.Biol.Inorg.Chem., 4, 1999
1JV0
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THE CRYSTAL STRUCTURE OF THE ZINC(II) ADDUCT OF THE CAI MICHIGAN 1 VARIANT
分子名称: 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, CHLORIDE ION, ...
著者Briganti, F, Ferraroni, M, Chegwidden, W.R, Scozzafava, A, Supuran, C.T, Tilli, S.
登録日2001-08-28
公開日2001-09-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
3B4F
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Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Guzel, o, Temperini, c, Innocenti, a, Scozzafava, A, Salman, a, Supuran, c.t.
登録日2007-10-24
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
3BL0
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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
分子名称: 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Temperini, C, Supuran, C.T, Blackburn, G.M.
登録日2007-12-10
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3BL1
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Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications
分子名称: 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A, Supuran, C.T.
登録日2007-12-10
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
5N24
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Crystal structure of human carbonic anhydrase II in complex with the inhibitor b4'-Cyano-biphenyl-4-sulfonic acid amide
分子名称: 4-(4-cyanophenyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F.
登録日2017-02-07
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms
Inorg.Chim.Acta., 470, 2018
5N1R
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Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4'-Pyrazol-1-ylmethyl-biphenyl-4-sulfonamide
分子名称: 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F.
登録日2017-02-06
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms
Inorg.Chim.Acta., 470, 2018
5NEA
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Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide
分子名称: 1,2-ETHANEDIOL, 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, Carbonic anhydrase 2, ...
著者Ferraroni, M, Supuran, C.T, Krasavin, M.
登録日2017-03-10
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads.
Bioorg. Med. Chem., 25, 2017
5NEE
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Crystal structure of human carbonic anhydrase II in complex with the inhibitor 5-[2-(morpholine-4-carbonyl)1,3-oxazol-5-yl)]thiophene-2-sulfonammide
分子名称: 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T, Krasavin, M.
登録日2017-03-10
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads.
Bioorg. Med. Chem., 25, 2017
4CQ0
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Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes
分子名称: 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ...
著者Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S.
登録日2014-02-10
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes.
J.Med.Chem., 57, 2014
1NO9
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Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha Thrombin, N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE, ...
著者De Simone, G, Menchise, V, Omaggio, S, Pedone, C, Scozzafava, A, Supuran, C.T.
登録日2003-01-16
公開日2003-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献DESIGN OF WEAKLY BASIC THROMBIN INHIBITORS INCORPORATING NOVEL P1 BINDING FUNCTIONS: MOLECULAR AND X-RAY CRYSTALLOGRAPHIC STUDIES
Biochemistry, 42, 2003
2ABE
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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
分子名称: Carbonic anhydrase II, HISTIDINE, MERCURY (II) ION, ...
著者Temperini, C, Scozzafava, A, Puccetti, L, Supuran, C.T.
登録日2005-07-15
公開日2005-10-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2IT4
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X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet
分子名称: Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION
著者Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T.
登録日2006-10-19
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.
Bioorg.Med.Chem.Lett., 17, 2007
2O4Z
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Crystal structure of the Carbonic Anhydrase II complexed with hydroxysulfamide inhibitor
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, N-hydroxysulfamide, ...
著者Temperini, C, Winum, J.Y, Montero, J.L, Scozzafava, a, Supuran, c.t.
登録日2006-12-05
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
7BM4
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Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulphamoylphenyl)selenourea
分子名称: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
1ZGF
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carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-21
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor
To be Published
1ZGE
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carbonic anhydrase II in complex with p-Sulfonamido-o,o'-dichloroaniline as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-21
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献carbonic anhydrase II in complex with p-Sulfonamido-o,o'-dichloroaniline as sulfonamide inhibitor
To be Published
1ZFQ
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carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-20
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor
To be Published
1ZFK
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carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase II, GLYCEROL, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-20
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor
To be Published
1Z9Y
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carbonic anhydrase II in complex with furosemide as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-05
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献carbonic anhydrase II in complex with furosemide as sulfonamide inhibitor
To be Published
1ZH9
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carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-23
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
To be Published

219869

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