4YKN

Pi3K alpha lipid kinase with Active Site Inhibitor

Summary for 4YKN

• Entry DOI: 10.2210/pdb4ykn/pdb
• Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein, 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid (3 entities in total)
• Functional Keywords: "lipid kinase", inhibitor, complex, pi3k, pi3k alpha, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 163380.02

Authors

Elkins, P.A. (deposition date: 2015-03-04, release date: 2015-06-17, Last modification date: 2024-02-28)

Primary citation

Yang, H.,Medeiros, P.F.,Raha, K.,Elkins, P.,Lind, K.E.,Lehr, R.,Adams, N.D.,Burgess, J.L.,Schmidt, S.J.,Knight, S.D.,Auger, K.R.,Schaber, M.D.,Franklin, G.J.,Ding, Y.,DeLorey, J.L.,Centrella, P.A.,Mataruse, S.,Skinner, S.R.,Clark, M.A.,Cuozzo, J.W.,Evindar, G.
Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6:531-536, 2015

PubMed Abstract: In the search of PI3K p110α wild type and H1047R mutant selective small molecule leads, an encoded library technology (ELT) campaign against the desired target proteins was performed which led to the discovery of a selective chemotype for PI3K isoforms from a three-cycle DNA encoded library. An X-ray crystal structure of a representative inhibitor from this chemotype demonstrated a unique binding mode in the p110α protein.

PubMed: 26005528
DOI: 10.1021/acsmedchemlett.5b00025

Experimental method

X-RAY DIFFRACTION (2.9 Å)