5OD7

Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time

5OD7 の概要

• エントリーDOI: 10.2210/pdb5od7/pdb
• 分子名称: Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone (3 entities in total)
• 機能のキーワード: heat-shock protein complex, hsp90, atpase, pyrazole, chaperone, atp-binding, heat shock, nucleotide-binding, phosphorylation
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 26242.45

構造登録者

Schuetz, D.A.,Richter, L.,Amaral, M.,Grandits, M.,Musil, D.,Graedler, U.,Buchstaller, H.-P.,Eggenweiler, H.-M.,Frech, M.,Ecker, G.F.,Lehmann, M. (登録日: 2017-07-04, 公開日: 2018-11-21, 最終更新日: 2024-05-08)

• 主引用文献: Schuetz, D.A.,Richter, L.,Amaral, M.,Grandits, M.,Gradler, U.,Musil, D.,Buchstaller, H.P.,Eggenweiler, H.M.,Frech, M.,Ecker, G.F.; Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.; J.Med.Chem., 61:4397-4411, 2018; PubMed: 29701469; DOI: 10.1021/acs.jmedchem.8b00080

実験手法

X-RAY DIFFRACTION (2 Å)