6I83

Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366

Summary for 6I83

Entry DOI	10.2210/pdb6i83/pdb
Related	6I82
Descriptor	Proto-oncogene tyrosine-protein kinase receptor Ret, 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide, FORMIC ACID, ... (4 entities in total)
Functional Keywords	inhibitor, kinase, proto-oncogene, oncoprotein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	36855.02
Authors	Burschowsky, D.,Seewooruthun, C.,Bayliss, R.,Carr, M.D.,Echalier, A.,Jordan, A.M. (deposition date: 2018-11-19, release date: 2020-03-11, Last modification date: 2024-01-24)
Primary citation	Newton, R.,Waszkowycz, B.,Seewooruthun, C.,Burschowsky, D.,Richards, M.,Hitchin, S.,Begum, H.,Watson, A.,French, E.,Hamilton, N.,Jones, S.,Lin, L.Y.,Waddell, I.,Echalier, A.,Bayliss, R.,Jordan, A.M.,Ogilvie, D. Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase. Acs Med.Chem.Lett., 11:497-505, 2020 Cited by PubMed Abstract: A combination of focused library and virtual screening, hit expansion, and rational design has resulted in the development of a series of inhibitors of RET kinase, the anticipated drug-resistant mutant of RET kinase. These agents do not inhibit the wild type (wt) isoforms of RET or KDR and therefore offer a potential adjunct to RET inhibitors currently undergoing clinical evaluation. PubMed: 32292556 DOI: 10.1021/acsmedchemlett.9b00615 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.88 Å)

Structure validation