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 Cited by PubMed: 25589927DOI: 10.1021/ml500353p PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.39 Å) |
Structure validation
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