PDB: 1584 件ウェブページステータス検索Chemie searchBIRD

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6YQU	CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE 分子名称: 3~{H}-1,3-benzoxazole-2-thione, 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 (1.478 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
8R1I	Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide 分子名称: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Kotschy, J, Gasper, R, Linser, R. 登録日 2023-11-02 公開日 2023-12-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein. Angew.Chem.Int.Ed.Engl., 63, 2024
6ZR9	The crystal structure of the complex of hCAVII with 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide 分子名称: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 7, ZINC ION 著者 D'Ambrosio, K, De Simone, G, Di Fiore, A. 登録日 2020-07-11 公開日 2021-06-16 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development New J.Chem., 45, 2021
5EHW	human carbonic anhydrase II in complex with ligand 分子名称: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-29 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.392 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5EH7	human carbonic anhydrase II in complex with ligand 分子名称: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-28 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.425 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5EH5	human carbonic anhydrase II in complex with ligand 分子名称: 1.7.6 4-methylpyrimidine-2-sulfonamide, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-28 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.207 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5EHV	human carbonic anhydrase II in complex with ligand 分子名称: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-29 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.208 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5EH8	human carbonic anhydrase II in complex with ligand 分子名称: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-28 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.381 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
6YMA	MicroED structure of acetazolamide-bound human carbonic anhydrase II 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. 登録日 2020-04-08 公開日 2020-08-12 最終更新日 2024-01-24 実験手法 ELECTRON CRYSTALLOGRAPHY (2.5 Å) 主引用文献 Visualizing drug binding interactions using microcrystal electron diffraction. Commun Biol, 3, 2020
5EKJ	Human Carbonic Anhydrase II complexed with a two-faced guest 分子名称: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Roose, B.W, Dmochowski, I.J. 登録日 2015-11-03 公開日 2016-01-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.129 Å) 主引用文献 Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR. Angew.Chem.Int.Ed.Engl., 55, 2016
5EKH	Human Carbonic Anhydrase II complexed with a two-faced guest 分子名称: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Roose, B.W, Dmochowksi, I.J. 登録日 2015-11-03 公開日 2016-01-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR. Angew.Chem.Int.Ed.Engl., 55, 2016
5EKM	Human Carbonic Anhydrase II complexed with a two-faced guest 分子名称: 2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Roose, B.W, Dmochowski, I.J. 登録日 2015-11-03 公開日 2016-01-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR. Angew.Chem.Int.Ed.Engl., 55, 2016
7O54	Crystal structure of the carbonic anhydrase-like domain of CcmM in complex with the C-terminal 17 residues of CcaA from Synechococcus elongatus (strain PCC 7942) 分子名称: CHLORIDE ION, Carbonic anhydrase, Carboxysome assembly protein CcmM, ... 著者 Zang, K, Wang, H, Hartl, F.U, Hayer-Hartl, M. 登録日 2021-04-07 公開日 2021-11-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Scaffolding protein CcmM directs multiprotein phase separation in beta-carboxysome biogenesis. Nat.Struct.Mol.Biol., 28, 2021
4Q7W	Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 1-hydroxy-6-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 (1.45 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q90	Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-28 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q87	Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 1-hydroxy-4-(trifluoromethyl)pyridine-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 (1.55 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q8Y	Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase II 分子名称: 2-hydroxyisoquinoline-1(2H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-28 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q7V	Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 1-hydroxy-5-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 (1.6 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q83	Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 1-hydroxy-3-(trifluoromethyl)pyridine-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 (1.55 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q8X	Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-28 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
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
4Q9Y	Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II 分子名称: 3-methylbenzenethiol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-05-02 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
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
4Q81	Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 1-hydroxy-4,6-dimethylpyridine-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 (1.55 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q8Z	Crystal structure of 1-hydroxy-4-methylpyridin-2(1H)-one bound to human carbonic anhydrase II 分子名称: 1-hydroxy-4-methylpyridin-2(1H)-one, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-28 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

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