6GVI

Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Summary for 6GVI

Entry DOI	10.2210/pdb6gvi/pdb
Descriptor	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine (3 entities in total)
Functional Keywords	lipid kinase, inhibitor, pi3k alpha, transferase-transferase inhibitor complex, transferase-transferase regulator complex, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	112377.84
Authors	Ouvry, G.,Aurelly, M.,Bonnary, L.,Borde, E.,Bouix-Peter, C.,Chantalat, L.,Clary, L.,Defoin-Platel, C.,Deret, S.,Forissier, M.,Harris, C.S.,Isabet, T.,Lamy, L.,Luzy, A.P.,Pascau, J.,Soulet, C.,Taddei, A.,Taquet, N.,Tomas, L.,Thoreau, E.,Varvier, E.,Vial, E.,Hennequin, L.F. (deposition date: 2018-06-21, release date: 2019-10-02, Last modification date: 2019-12-04)
Primary citation	Ouvry, G.,Clary, L.,Tomas, L.,Aurelly, M.,Bonnary, L.,Borde, E.,Bouix-Peter, C.,Chantalat, L.,Defoin-Platel, C.,Deret, S.,Forissier, M.,Harris, C.S.,Isabet, T.,Lamy, L.,Luzy, A.P.,Pascau, J.,Soulet, C.,Taddei, A.,Taquet, N.,Thoreau, E.,Varvier, E.,Vial, E.,Hennequin, L.F. Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10:1561-1567, 2019 Cited by PubMed: 31749911 DOI: 10.1021/acsmedchemlett.9b00401 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation