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4WW6
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BU of 4ww6 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-11-10
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
4WR7
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Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide.
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, ACETATE ION, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-10-23
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
4WUQ
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BU of 4wuq by Molmil
Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-piperidin-1-ylbenzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide, Carbonic anhydrase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-11-03
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
2Q1B
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BU of 2q1b by Molmil
Carbonic Anhydrase II in Complex with Saccharin
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Klebe, G, Heine, A, Koehler, K.
Deposit date:2007-05-24
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
2POU
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BU of 2pou by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide
Descriptor: 4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
4WL4
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BU of 4wl4 by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 6-hydroxy-chromene-2-thione inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-hydroxy-2H-chromene-2-thione, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2014-10-06
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
4WW8
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BU of 4ww8 by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 4-Propylthiobenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 4-(propylsulfanyl)benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-11-10
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
4WUP
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BU of 4wup by Molmil
Crystal structure of human carbonic anhydrase isozyme I with 4-[(2-Hydroxyethyl)thio]benzenesulfonamide
Descriptor: 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-11-03
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
4X5S
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BU of 4x5s by Molmil
The crystal structure of an alpha carbonic anhydrase from the extremophilic bacterium Sulfurihydrogenibium azorense.
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase (Carbonate dehydratase), ...
Authors:De Simone, G, Alterio, V, Di Fiore, A.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense.
Bioorg.Med.Chem.Lett., 25, 2015
2Q1Q
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BU of 2q1q by Molmil
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
2Q38
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BU of 2q38 by Molmil
Carbonic Anhydrase II in complex with Saccharin at 1.95 Angstrom
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2007-05-30
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
2POW
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BU of 2pow by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide
Descriptor: 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
4XIX
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BU of 4xix by Molmil
Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with phosphate.
Descriptor: Carbonic anhydrase, alpha type, DIHYDROGENPHOSPHATE ION, ...
Authors:Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E.
Deposit date:2015-01-08
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Plant Physiol., 167, 2015
4XZ5
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BU of 4xz5 by Molmil
Structure of the thermostable alpha-Carbonic Anydrase from Thiomicrospira crunogena XCL-2 gammaproteobacterium
Descriptor: BICARBONATE ION, Carbonic anhydrase, alpha family, ...
Authors:Mahon, B.P, Diaz-Torres, N.A, Pinard, M.A, McKenna, R.
Deposit date:2015-02-03
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Structural and biophysical characterization of the alpha-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2: insights into engineering thermostable enzymes for CO2 sequestration.
Acta Crystallogr.,Sect.D, 71, 2015
2POV
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BU of 2pov by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-chloro-benzene-1,3-disulfonamide
Descriptor: 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
4XIW
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BU of 4xiw by Molmil
Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, alpha type, ...
Authors:Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E.
Deposit date:2015-01-07
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Plant Physiol., 167, 2015
4XFW
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BU of 4xfw by Molmil
Crystal structure of the monoclinic form of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori
Descriptor: ACETIC ACID, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Compostella, M.E, Vallese, F, Berto, P, Zanotti, G.
Deposit date:2014-12-29
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.517 Å)
Cite:Structure of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori.
Acta Crystallogr.,Sect.F, 71, 2015
4Y0J
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BU of 4y0j by Molmil
H/D exchanged human carbonic anhydrase II pH 6 room temperature neutron crystal structure.
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z.
Deposit date:2015-02-06
Release date:2015-04-22
Last modified:2024-01-10
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XE1
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BU of 4xe1 by Molmil
Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN
Descriptor: 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor.
Org.Biomol.Chem., 13, 2015
2QO8
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BU of 2qo8 by Molmil
Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-20
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Carbonic Anhydrase Inhibitors: Binding of Indanesulfonamides to the Human Isoform II.
Chemmedchem, 3, 2007
2QOA
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BU of 2qoa by Molmil
Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-20
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic Anhydrase Inhibitors: Binding of Indanesulfonamides to the Human Isoform II.
Chemmedchem, 3, 2007
2QP6
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BU of 2qp6 by Molmil
The crystal structure of the complex of hcaII with a bioreductive antitumor derivative
Descriptor: 2-chloro-5-nitrobenzenesulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-23
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Carbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides with Selectivity for Targeting the Tumor Associated Isoforms IX and XII.
J.Med.Chem., 51, 2008
4YGK
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BU of 4ygk by Molmil
NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, HYDROXIDE ION, THIOCYANATE ION, ...
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4YGF
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BU of 4ygf by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Roujeinikova, A, Modak, J.K.
Deposit date:2015-02-26
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
4YGJ
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NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: BROMIDE ION, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015

219869

数据于2024-05-15公开中

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