8OUR

CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16

Summary for 8OUR

• Entry DOI: 10.2210/pdb8our/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase 12, 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine (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: 34455.49

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; PubMed: 37436942; DOI: 10.1021/acs.jmedchem.3c00788

Experimental method

X-RAY DIFFRACTION (1.95 Å)