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

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4Q7S	Crystal Structure of 1-hydroxy-4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 1-hydroxy-4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-25 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q7P	Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII 分子名称: 1-hydroxy-3-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-25 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q78	Structure-assisted design of carborane-based inhibitors of carbonic anhydrase 分子名称: 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Mader, P, Brynda, J, Rezacova, P. 登録日 2014-04-24 公開日 2015-03-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Carborane-based carbonic anhydrase inhibitors: insight into CAII/CAIX specificity from a high-resolution crystal structure, modeling, and quantum chemical calculations. Biomed Res Int, 2014, 2014
4Q6E	Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide 分子名称: 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-22 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Molecules, 19, 2014
4Q6D	Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide 分子名称: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-22 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Molecules, 19, 2014
4Q49	Room temperature neutron crystal structure of apo human carbonic anhydrase at pH 7.5 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z, McKenna, R. 登録日 2014-04-14 公開日 2015-02-25 最終更新日 2023-09-20 実験手法 NEUTRON DIFFRACTION (1.8 Å) 主引用文献 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
4Q0L	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor 分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-02 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
4Q09	Crystal structure of chimeric carbonic anhydrase XII with inhibitor 分子名称: 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-01 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
4Q08	Crystal structure of chimeric carbonic anhydrase XII with inhibitor 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-01 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
4Q07	Crystal structure of chimeric carbonic anhydrase IX with inhibitor 分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-01 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
4Q06	Crystal structure of chimeric carbonic anhydrase IX with inhibitor 分子名称: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-01 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
4PZH	Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-03-31 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
4PYY	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-03-28 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
4PYX	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-03-28 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
4PXX	Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II 分子名称: CHOLIC ACID, Carbonic anhydrase 2, MAGNESIUM ION, ... 著者 Boone, C.D, Habibzadegan, A, McKenna, R. 登録日 2014-03-25 公開日 2015-06-10 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (1.851 Å) 主引用文献 Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II TO BE PUBLISHED
4PQ7	The crystal structure of the human carbonic anhydrase ii in complex with a sulfamide inhibitor 分子名称: 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene, Carbonic anhydrase 2, GLYCEROL, ... 著者 Alterio, V, De Simone, G. 登録日 2014-02-28 公開日 2014-10-08 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Hydrophobic substituents of the phenylmethylsulfamide moiety can be used for the development of new selective carbonic anhydrase inhibitors. Biomed Res Int, 2014, 2014
4N16	Structure of cholate bound to human carbonic anhydrase II 分子名称: CHOLIC ACID, Carbonic anhydrase 2, GLYCEROL, ... 著者 Boone, C.D, McKenna, R. 登録日 2013-10-03 公開日 2014-06-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II. Acta Crystallogr.,Sect.D, 70, 2014
4N0X	Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide 分子名称: Carbonic anhydrase 2, ZINC ION, thiophene-2-sulfonamide 著者 Fisher, S.Z, Williams, R.F. 登録日 2013-10-02 公開日 2014-01-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide To be Published
4MTY	Structure at 1A resolution of a helical aromatic foldamer-protein complex. 分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y. 登録日 2013-09-20 公開日 2013-12-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution. Angew.Chem.Int.Ed.Engl., 53, 2014
4MO8	The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide 分子名称: Carbonic anhydrase 2, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide, ZINC ION 著者 Alterio, V, De Simone, G. 登録日 2013-09-11 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Hypoxia-Targeting Carbonic Anhydrase IX Inhibitors by a New Series of Nitroimidazole-Sulfonamides/Sulfamides/Sulfamates. J.Med.Chem., 56, 2013
4MLX	Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII 分子名称: 5-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2013-09-06 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site. J.Am.Chem.Soc., 136, 2014
4MLT	Structure of a monodentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII 分子名称: 3-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2013-09-06 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site. J.Am.Chem.Soc., 136, 2014
4MDM	Nido-Carborane Carbonic Anhydrase Inhibitor 分子名称: 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane, Carbonic anhydrase 2, ZINC ION 著者 Brynda, J, Mader, P, Rezacova, P, Cigler, P, Gruner, B. 登録日 2013-08-23 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Carborane-based carbonic anhydrase inhibitors. Angew.Chem.Int.Ed.Engl., 52, 2013
4MDL	Meta Carborane Carbonic Anhydrase Inhibitor 分子名称: 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Brynda, J, Mader, P, Rezacova, P, Cigler, P. 登録日 2013-08-23 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.516 Å) 主引用文献 Carborane-based carbonic anhydrase inhibitors. Angew.Chem.Int.Ed.Engl., 52, 2013
4MDG	Closo Carborane Carbonic Anhydrase Inhibitor 分子名称: 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, ZINC ION 著者 Brynda, J, Mader, P, Rezacova, P. 登録日 2013-08-22 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Carborane-based carbonic anhydrase inhibitors. Angew.Chem.Int.Ed.Engl., 52, 2013

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