8U8X

crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27

Summary for 8U8X

• Entry DOI: 10.2210/pdb8u8x/pdb
• Descriptor: Receptor tyrosine-protein kinase erbB-2, 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, DI(HYDROXYETHYL)ETHER, ... (5 entities in total)
• Functional Keywords: proto-oncogene c-erbb-2, tyrosine kinase-type cell surface, signaling protein, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 40200.76

Authors

Wang, J.,Mou, T.C. (deposition date: 2023-09-18, release date: 2024-06-12, Last modification date: 2024-06-26)

• Primary citation: Hicken, E.J.,Brown, K.,Dwulet, N.C.,Gaudino, J.J.,Hansen, E.P.,Hartley, D.P.,Kowalski, J.P.,Laird, E.R.,Lazzara, N.C.,Li, B.,Mou, T.C.,Mutryn, M.F.,Oko, L.,Pajk, S.,Pipal, R.W.,Rosen, R.Z.,Shelp, R.,Singh, A.,Wang, J.,Wise, C.E.,Wong, C.,Wong, J.Y.; Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA .; J.Med.Chem., 67:9759-9771, 2024; PubMed: 38820338; DOI: 10.1021/acs.jmedchem.4c00978

Experimental method

X-RAY DIFFRACTION (1.69 Å)