3QK0

Crystal structure of PI3K-gamma in complex with benzothiazole 82

Summary for 3QK0

• Entry DOI: 10.2210/pdb3qk0/pdb
• Related: 3QJZ
• Descriptor: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, ... (4 entities in total)
• Functional Keywords: p110, transferase, kinase, inhibitor, atp-binding, p84, p101, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 110589.18

Authors

Whittington, D.A.,Tang, J.,Yakowec, P. (deposition date: 2011-01-31, release date: 2011-03-30, Last modification date: 2023-09-13)

• Primary citation: D'Angelo, N.D.,Kim, T.S.,Andrews, K.,Booker, S.K.,Caenepeel, S.,Chen, K.,D'Amico, D.,Freeman, D.,Jiang, J.,Liu, L.,McCarter, J.D.,San Miguel, T.,Mullady, E.L.,Schrag, M.,Subramanian, R.,Tang, J.,Wahl, R.C.,Wang, L.,Whittington, D.A.,Wu, T.,Xi, N.,Xu, Y.,Yakowec, P.,Yang, K.,Zalameda, L.P.,Zhang, N.,Hughes, P.,Norman, M.H.; Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.; J.Med.Chem., 54:1789-1811, 2011; PubMed: 21332118; DOI: 10.1021/jm1014605

Experimental method

X-RAY DIFFRACTION (2.85 Å)