PDB: 1334 件ウェブページステータス検索Chemie searchBIRD

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5THJ	Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 分子名称: 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... 著者 Dick, B, Cohen, S. 登録日 2016-09-29 公開日 2017-04-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
5THI	Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G 分子名称: 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... 著者 Dick, B, Cohen, S. 登録日 2016-09-29 公開日 2017-04-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
1FR7	X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT 分子名称: CARBONIC ANHYDRASE II, ZINC ION 著者 Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. 登録日 2000-09-07 公開日 2001-01-17 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000
6ROF	Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide 分子名称: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S. 登録日 2019-05-12 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide To Be Published
3KOK	Crystal structure of cobalt (II) human carbonic anhydrase II at pH 8.5 分子名称: COBALT (II) ION, Carbonic anhydrase 2 著者 Avvaru, B.S. 登録日 2009-11-13 公開日 2010-08-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II. Arch.Biochem.Biophys., 502, 2010
3KON	Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0 分子名称: COBALT (II) ION, Carbonic anhydrase 2 著者 Avvaru, B.S. 登録日 2009-11-13 公開日 2010-08-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II. Arch.Biochem.Biophys., 502, 2010
6RMY	Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... 著者 Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S. 登録日 2019-05-07 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide To Be Published
6UZU	Carbonic Anhydrase IX-mimic In Complex WITH U-CH3 分子名称: 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 McKenna, R, Mboge, M.Y, Mahon, B.P. 登録日 2019-11-15 公開日 2020-10-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure activity study of carbonic anhydrase IX: Selective inhibition with ureido-substituted benzenesulfonamides. Eur J Med Chem, 132, 2017
6EVR	Crystal structure of human carbonic anhydrase I in complex with the 4-(4 acetyl-3-benzylpiperazine-1 carbonyl)benzene-1-sulfonamide inhibitor 分子名称: 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... 著者 Ferraroni, M, Supuran, C.T, Chiapponi, D, Chiaramonte, N. 登録日 2017-11-02 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents. Eur J Med Chem, 151, 2018
5N24	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
4GL1	Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant 分子名称: Carbonic anhydrase 2, ZINC ION 著者 West, D.M. 登録日 2012-08-13 公開日 2013-09-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases To be Published
4WR7	Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide. 分子名称: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, ACETATE ION, ... 著者 Manakova, E, Smirnov, A, Grazulis, S. 登録日 2014-10-23 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
5DSQ	Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming 分子名称: Carbonic anhydrase 2, GLYCEROL 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2015-09-17 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6YQT	CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE 分子名称: 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Alterio, V, De Simone, G, Esposito, D. 登録日 2020-04-18 公開日 2020-07-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
4Q99	Crystal structure of 2-mercapto-4-methylphenol bound to human carbonic anhydrase II 分子名称: 4-methyl-2-sulfanylphenol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-29 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
6FJJ	Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin). 分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z. 登録日 2018-01-22 公開日 2019-02-06 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION 主引用文献 Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J. Struct. Biol., 205, 2019
4ZWY	Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor 分子名称: (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. 登録日 2015-05-19 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
5HPJ	Photobacterium profundum alpha-carbonic anhydrase 分子名称: CHLORIDE ION, Carbonic anhydrase, ZINC ION 著者 Somalinga, V, Buhrman, G. 登録日 2016-01-20 公開日 2016-12-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 A High-Resolution Crystal Structure of a Psychrohalophilic alpha-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface. PLoS ONE, 11, 2016
3S75	The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase 分子名称: Carbonic anhydrase 2, ZINC ION, furan-2-sulfonamide 著者 Snyder, P.W, Heroux, A, Whitesides, G.W. 登録日 2011-05-26 公開日 2011-10-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
6T5P	Human Carbonic anhydrase XII bound by 3,5-Di-tert-butylbenzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 3,5-di~{tert}-butylbenzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-10-16 公開日 2020-10-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
3MHM	Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide 分子名称: 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-04-08 公開日 2010-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
6YZO	Carborane closo-hexyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-05-07 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
7AEQ	Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide 分子名称: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ... 著者 Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-09-18 公開日 2021-09-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
4JSA	Benzenesulfonamide complexed with hCAII H94D 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE 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 (1.5 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
6NJ2	thermostable carbonic anhydrase II variant with tetrazine 2.0 at site 186 分子名称: Carbonic anhydrase 2, GLYCEROL, SULFATE ION, ... 著者 Kean, K.M, Karplus, P.A. 登録日 2019-01-02 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Immobilization of Proteins with Controlled Load and Orientation. ACS Appl Mater Interfaces, 11, 2019

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