7K9V

Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452

7K9V の概要

• エントリーDOI: 10.2210/pdb7k9v/pdb
• 関連するPDBエントリー: 7K9R 7K9S 7K9U 7K9W
• 分子名称: Hsp90-like protein, (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, ... (6 entities in total)
• 機能のキーワード: cryptococcus, hsp90, atp-binding, inhibitor, chaperone
• 由来する生物種: Cryptococcus neoformans
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 50231.51

構造登録者

Kuntz, D.A.,Prive, G.G. (登録日: 2020-09-29, 公開日: 2021-01-27, 最終更新日: 2023-10-18)

• 主引用文献: Marcyk, P.T.,LeBlanc, E.V.,Kuntz, D.A.,Xue, A.,Ortiz, F.,Trilles, R.,Bengtson, S.,Kenney, T.M.G.,Huang, D.S.,Robbins, N.,Williams, N.S.,Krysan, D.J.,Prive, G.G.,Whitesell, L.,Cowen, L.E.,Brown, L.E.; Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.; J.Med.Chem., 64:1139-1169, 2021; PubMed: 33444025; DOI: 10.1021/acs.jmedchem.0c01777

実験手法

X-RAY DIFFRACTION (1.91 Å)