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PDB: 1112 件
1CAN
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CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, NITRATE ION
著者Mangani, S, Hakansson, K.
登録日1992-07-02
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions.
Eur.J.Biochem., 210, 1992
5LLE
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Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2016-07-27
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
1CNG
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X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE
分子名称: CARBONIC ANHYDRASE II, CHLORIDE ION, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1995-04-03
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-Ray Crystallographic Studies of Engineered Hydrogen Bond Networks in a Protein-Zinc Binding Site
J.Am.Chem.Soc., 117, 1995
1CAZ
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WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE
分子名称: ACETIC ACID, CARBONIC ANHYDRASE II, ZINC ION
著者Hakansson, K, Briand, C, Zaitsev, V, Xue, Y, Liljas, A.
登録日1993-02-26
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wild-type and E106Q mutant carbonic anhydrase complexed with acetate.
Acta Crystallogr.,Sect.D, 50, 1994
5JMZ
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BU of 5jmz by Molmil
Carbonic Anhydrase IX-mimic IN Complex WITH U-NO2
分子名称: 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者McKenna, R, Mboge, M.Y, Mahon, B.P.
登録日2016-04-29
公開日2017-05-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic Anhydrase IX-mimic IN Complex WITH U-NO2
To Be Published
1LGD
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Crystal Structure Analysis of HCA II Mutant T199P in Complex with Bicarbonate
分子名称: BICARBONATE ION, Carbonic anhydrase II, ZINC ION
著者Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H.
登録日2002-04-15
公開日2002-07-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant.
Biochemistry, 41, 2002
1BCD
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BU of 1bcd by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND A NEW TOPICAL INHIBITOR, TRIFLUOROMETHANE SULPHONAMIDE
分子名称: CARBONIC ANHYDRASE II, TRIFLUOROMETHANE SULFONAMIDE, ZINC ION
著者Hakansson, K, Liljas, A.
登録日1993-08-31
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of a complex between carbonic anhydrase II and a new inhibitor, trifluoromethane sulphonamide.
FEBS Lett., 350, 1994
3DD8
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Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
登録日2008-06-05
公開日2008-08-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
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
2Q1Q
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Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, SULTHIAME, ...
著者Temperini, C, Innocenti, A, Mastrolorenzo, A, Scozzafava, A, Supuran, C.T.
登録日2007-05-25
公開日2007-09-11
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 the antiepileptic drug sulthiame with twelve mammalian isoforms: Kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
1UGE
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BU of 1uge by Molmil
HUMAN CARBONIC ANHYDRASE II [HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY LEU (A65L)
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Scolnick, L.R, Christianson, D.W.
登録日1996-07-24
公開日1997-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
4JSW
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Human carbonic anhydrase II H94C
分子名称: Carbonic anhydrase 2, ZINC ION
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
4JSZ
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Benzenesulfonamide bound to hCAII H94C
分子名称: Carbonic anhydrase 2, ZINC ION, benzenesulfonamide
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
3RG3
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Crystal structure of the W5E mutant of human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Domsic, J.F, Robbins, A.H, McKenna, R.
登録日2011-04-07
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure and catalysis by carbonic anhydrase II: role of active-site tryptophan 5.
Arch.Biochem.Biophys., 516, 2011
8SD9
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Carbonic anhydrase II radiation damage RT 121-150
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
1I9P
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CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
3IBI
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BU of 3ibi by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
著者Alterio, V, De Simone, G.
登録日2009-07-16
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
1I8Z
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CARBONIC ANHYDRASE II COMPLEXED WITH AL-6629 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE
分子名称: 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W.
登録日2001-03-16
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV.
J.Med.Chem., 45, 2002
1I9L
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CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
1IF4
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Carbonic Anhydrase II Complexed With 4-fluorobenzenesulfonamide
分子名称: 4-FLUOROBENZENESULFONAMIDE, Carbonic Anhydrase II, MERCURY (II) ION, ...
著者Kim, C.-Y, Christianson, D.W.
登録日2001-04-12
公開日2001-05-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Binding of Fluorine Substituted Benzenesulfonamides to Carbonic Anhydrase II
To be Published
1IF8
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Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
分子名称: (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I.
登録日2001-04-12
公開日2001-05-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
6H2Z
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The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
分子名称: 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者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.
登録日2018-07-17
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
1G53
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CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
著者Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
登録日2000-10-30
公開日2000-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
1TTM
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Human carbonic anhydrase II complexed with 667-coumate
分子名称: 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE, Carbonic anhydrase II, ZINC ION
著者Lloyd, M.D, Pederick, R.L, Natesh, R, Woo, L.W.L, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L.
登録日2004-06-23
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human carbonic anhydrase II at 1.95 A resolution in complex with 667-coumate, a novel anti-cancer agent
Biochem.J., 385, 2005
4QSI
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Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2014-07-04
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014

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