8OUS

CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19

Summary for 8OUS

Entry DOI	10.2210/pdb8ous/pdb
Descriptor	Mitogen-activated protein kinase kinase kinase 12, (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol (3 entities in total)
Functional Keywords	dlk, kinase, inhibitor, signaling protein, transferase-inhibitor, m3k12
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	34485.52
Authors	Zebisch, M.,McEwan, P.A.,Barker, J.J.,Cross, J.B. (deposition date: 2023-04-24, release date: 2023-07-26, Last modification date: 2023-08-09)
Primary citation	Le, K.,Soth, M.J.,Cross, J.B.,Liu, G.,Ray, W.J.,Ma, J.,Goodwani, S.G.,Acton, P.J.,Buggia-Prevot, V.,Akkermans, O.,Barker, J.,Conner, M.L.,Jiang, Y.,Liu, Z.,McEwan, P.,Warner-Schmidt, J.,Xu, A.,Zebisch, M.,Heijnen, C.J.,Abrahams, B.,Jones, P. Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy. J.Med.Chem., 66:9954-9971, 2023 Cited by PubMed: 37436942 DOI: 10.1021/acs.jmedchem.3c00788 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation