5UK8

The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR

Summary for 5UK8

• Entry DOI: 10.2210/pdb5uk8/pdb
• Related: 5UKJ 5UL1
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, ... (4 entities in total)
• Functional Keywords: inhibitor, lipid kinase, mutation, atr, transferase-signaling protein-inhibitor complex, transferase/signaling protein/inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 160825.14

Authors

Knapp, M.S.,Mamo, M.,Elling, R.A. (deposition date: 2017-01-20, release date: 2017-06-14, Last modification date: 2024-04-03)

• Primary citation: Lu, Y.,Knapp, M.,Crawford, K.,Warne, R.,Elling, R.,Yan, K.,Doyle, M.,Pardee, G.,Zhang, L.,Ma, S.,Mamo, M.,Ornelas, E.,Pan, Y.,Bussiere, D.,Jansen, J.,Zaror, I.,Lai, A.,Barsanti, P.,Sim, J.; Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.; J. Mol. Biol., 429:1684-1704, 2017; PubMed: 28433539; DOI: 10.1016/j.jmb.2017.04.006

Experimental method

X-RAY DIFFRACTION (2.5 Å)