5UKJ

The co-structure of N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3- b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5- a]pyrazin-3-yl]benzenesulfonamide and a rationally designed PI3K-alpha mutant that mimics ATR

Summary for 5UKJ

• Entry DOI: 10.2210/pdb5ukj/pdb
• Related: 5UK8 5UL1
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, ... (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: 160823.12

Authors

Knapp, M.S.,Elling, R.A.,Mamo, M. (deposition date: 2017-01-23, release date: 2017-05-10, 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 (2.8 Å)