7MLK

Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution

Summary for 7MLK

• Entry DOI: 10.2210/pdb7mlk/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide (2 entities in total)
• Functional Keywords: pi3k, pyrazine, complex, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 113000.26

Authors

Krake, S.H.,Martinez, P.D.G.,Poggi, M.L.,Ferreira, M.S.,Aguiar, A.C.C.,Souza, G.E.,Wenlock, M.,Jones, B.,Steinbrecher, T.,Day, T.,McPhail, J.,Burke, J.,Yeo, T.,Mok, S.,Uhlemann, A.C.,Fidock, D.A.,Chen, P.,Grodsky, N.,Deng, Y.L.,Guido, R.V.C.,Campbell, S.F.,Willis, P.A.,Dias, L.C. (deposition date: 2021-04-28, release date: 2022-05-04, Last modification date: 2023-10-18)

• Primary citation: Krake, S.H.,Martinez, P.D.G.,Poggi, M.L.,Ferreira, M.S.,Aguiar, A.C.C.,Souza, G.E.,Wenlock, M.,Jones, B.,Steinbrecher, T.,Day, T.,McPhail, J.,Burke, J.,Yeo, T.,Mok, S.,Uhlemann, A.C.,Fidock, D.A.,Chen, P.,Grodsky, N.,Deng, Y.L.,Guido, R.V.C.,Campbell, S.F.,Willis, P.A.,Dias, L.C.; Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.91 Å)