3EKR

Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone

3EKR の概要

• エントリーDOI: 10.2210/pdb3ekr/pdb
• 関連するPDBエントリー: 3EKO
• 分子名称: Heat shock protein HSP 90-alpha, 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: hsp90 inhibitors, alternative splicing, atp-binding, chaperone, cytoplasm, nucleotide-binding, phosphoprotein, stress response
• 由来する生物種: Homo sapiens
• 細胞内の位置: Cytoplasm: P07900
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 51855.37

構造登録者

Gajiwala, K.S. (登録日: 2008-09-19, 公開日: 2008-11-25, 最終更新日: 2023-08-30)

主引用文献

Kung, P.P.,Funk, L.,Meng, J.,Collins, M.,Zhou, J.Z.,Johnson, M.C.,Ekker, A.,Wang, J.,Mehta, P.,Yin, M.J.,Rodgers, C.,Davies, J.F.,Bayman, E.,Smeal, T.,Maegley, K.A.,Gehring, M.R.
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 18:6273-6278, 2008

PubMed Abstract: Information from X-ray crystal structures were used to optimize the potency of a HTS hit in a Hsp90 competitive binding assay. A class of novel and potent small molecule Hsp90 inhibitors were thereby identified. Enantio-pure compounds 31 and 33 were potent in PGA-based competitive binding assay and inhibited proliferation of various human cancer cell lines in vitro, with IC(50) values averaging 20 nM.

PubMed: 18929486
DOI: 10.1016/j.bmcl.2008.09.081

実験手法

X-RAY DIFFRACTION (2 Å)