7RSV

Structure of the VPS34 kinase domain with compound 5

Summary for 7RSV

• Entry DOI: 10.2210/pdb7rsv/pdb
• Descriptor: Phosphatidylinositol 3-kinase catalytic subunit type 3, (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, ... (5 entities in total)
• Functional Keywords: vps34 inhibitor, endosomal trafficking, authophagy, oncoprotein, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 141095.76

Authors

Hu, D.X.,Patel, S.,Chen, H.,Wang, S.,Staben, S.,Dimitrova, Y.N.,Wallweber, H.A.,Lee, J.Y.,Chan, G.K.Y.,Sneeringer, C.J.,Prangley, M.S.,Moffat, J.G.,Wu, C.,Schutt, L.K.,Salphati, L.,Pang, J.,McNamara, E.,Huang, H.,Chen, Y.,Wang, Y.,Zhao, W.,Lim, J.,Murthy, A.,Siu, M. (deposition date: 2021-08-11, release date: 2021-11-24, Last modification date: 2024-04-03)

• Primary citation: Hu, D.X.,Patel, S.,Chen, H.,Wang, S.,Staben, S.T.,Dimitrova, Y.N.,Wallweber, H.A.,Lee, J.Y.,Chan, G.K.Y.,Sneeringer, C.J.,Prangley, M.S.,Moffat, J.G.,Wu, K.C.,Schutt, L.K.,Salphati, L.,Pang, J.,McNamara, E.,Huang, H.,Chen, Y.,Wang, Y.,Zhao, W.,Lim, J.,Murthy, A.,Siu, M.; Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.; J.Med.Chem., 65:11500-11512, 2022; PubMed: 34779204; DOI: 10.1021/acs.jmedchem.1c01180

Experimental method

X-RAY DIFFRACTION (1.78 Å)