5UBR

CRYSTAL STRUCTURE OF PI3K ALPHA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE

5UBR の概要

• エントリーDOI: 10.2210/pdb5ubr/pdb
• 関連するPDBエントリー: 5ubt
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one (3 entities in total)
• 機能のキーワード: lipid kinase, inhibitor, pi3k alpha, transferase-transferase inhibitor complex, transferase-transferase regulator complex, transferase/transferase regulator
• 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: 110283.45

構造登録者

Sack, J.S. (登録日: 2016-12-21, 公開日: 2017-02-08, 最終更新日: 2024-03-06)

• 主引用文献: Qin, L.Y.,Ruan, Z.,Cherney, R.J.,Dhar, T.G.,Neels, J.,Weigelt, C.A.,Sack, J.S.,Srivastava, A.S.,Cornelius, L.A.,Tino, J.A.,Stefanski, K.,Gu, X.,Xie, J.,Susulic, V.,Yang, X.,Yarde-Chinn, M.,Skala, S.,Bosnius, R.,Goldstein, C.,Davies, P.,Ruepp, S.,Salter-Cid, L.,Bhide, R.S.,Poss, M.A.; Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors.; Bioorg. Med. Chem. Lett., 27:855-861, 2017; PubMed: 28108251; DOI: 10.1016/j.bmcl.2017.01.016

実験手法

X-RAY DIFFRACTION (2.4 Å)