4WAF

Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha

Summary for 4WAF

• Entry DOI: 10.2210/pdb4waf/pdb
• 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: pi3k, chimera, lipid kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 164306.65

Authors

Knapp, M.S.,Elling, R.A. (deposition date: 2014-08-29, release date: 2014-12-31, Last modification date: 2023-09-27)

• Primary citation: Barsanti, P.A.,Aversa, R.J.,Jin, X.,Pan, Y.,Lu, Y.,Elling, R.,Jain, R.,Knapp, M.,Lan, J.,Lin, X.,Rudewicz, P.,Sim, J.,Taricani, L.,Thomas, G.,Xiao, L.,Yue, Q.; Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.; Acs Med.Chem.Lett., 6:37-41, 2015; PubMed: 25589927; DOI: 10.1021/ml500353p

Experimental method

X-RAY DIFFRACTION (2.39 Å)