4YKN

Pi3K alpha lipid kinase with Active Site Inhibitor

4YKN の概要

• エントリーDOI: 10.2210/pdb4ykn/pdb
• 分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein, 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid (3 entities in total)
• 機能のキーワード: "lipid kinase", inhibitor, complex, pi3k, pi3k alpha, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 163380.02

構造登録者

Elkins, P.A. (登録日: 2015-03-04, 公開日: 2015-06-17, 最終更新日: 2024-02-28)

主引用文献

Yang, H.,Medeiros, P.F.,Raha, K.,Elkins, P.,Lind, K.E.,Lehr, R.,Adams, N.D.,Burgess, J.L.,Schmidt, S.J.,Knight, S.D.,Auger, K.R.,Schaber, M.D.,Franklin, G.J.,Ding, Y.,DeLorey, J.L.,Centrella, P.A.,Mataruse, S.,Skinner, S.R.,Clark, M.A.,Cuozzo, J.W.,Evindar, G.
Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6:531-536, 2015

PubMed Abstract: In the search of PI3K p110α wild type and H1047R mutant selective small molecule leads, an encoded library technology (ELT) campaign against the desired target proteins was performed which led to the discovery of a selective chemotype for PI3K isoforms from a three-cycle DNA encoded library. An X-ray crystal structure of a representative inhibitor from this chemotype demonstrated a unique binding mode in the p110α protein.

PubMed: 26005528
DOI: 10.1021/acsmedchemlett.5b00025

実験手法

X-RAY DIFFRACTION (2.9 Å)