6YM3

Crystal structure of Compound 1 with PIP4K2A

Summary for 6YM3

• Entry DOI: 10.2210/pdb6ym3/pdb
• Descriptor: Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: pip4k2a, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 91696.90

Authors

Holton, S.J.,Wortmann, L.,Braeuer, N.,Irlbacher, H.,Weiske, J.,Lechner, C.,Meier, R.,Puetter, V.,Christ, C.,ter Laak, T.,Lienau, P.,Lesche, R.,Nicke, B.,Bauser, M.,Haegebarth, A.,von Nussbaum, F.,Mumberg, D.,Lemos, C. (deposition date: 2020-04-07, release date: 2021-04-14, Last modification date: 2024-01-24)

• Primary citation: Wortmann, L.,Brauer, N.,Holton, S.J.,Irlbacher, H.,Weiske, J.,Lechner, C.,Meier, R.,Karen, J.,Sioberg, C.B.,Putter, V.,Christ, C.D.,Ter Laak, A.,Lienau, P.,Lesche, R.,Nicke, B.,Cheung, S.H.,Bauser, M.,Haegebarth, A.,von Nussbaum, F.,Mumberg, D.,Lemos, C.; Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.; J.Med.Chem., 64:15883-15911, 2021; PubMed: 34699202; DOI: 10.1021/acs.jmedchem.1c01245

Experimental method

X-RAY DIFFRACTION (2.05 Å)