3ML8

Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design

3ML8 の概要

• エントリーDOI: 10.2210/pdb3ml8/pdb
• 関連するPDBエントリー: 3ML9
• 分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (2 entities in total)
• 機能のキーワード: phosphoinositide kinase, inhibition, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm : P48736
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 111120.61

構造登録者

Knighton, D.R. (登録日: 2010-04-16, 公開日: 2010-06-02, 最終更新日: 2024-02-21)

• 主引用文献: Cheng, H.,Li, C.,Bailey, S.,Baxi, S.M.,Goulet, L.,Guo, L.,Hoffman, J.,Jiang, Y.,Johnson, T.O.,Johnson, T.W.,Knighton, D.R.,Li, J.,Liu, K.K.,Liu, Z.,Marx, M.A.,Walls, M.,Wells, P.A.,Yin, M.J.,Zhu, J.,Zientek, M.; Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.; ACS Med Chem Lett, 4:91-97, 2013; PubMed: 24900568; DOI: 10.1021/ml300309h

実験手法

X-RAY DIFFRACTION (2.7 Å)