8OUT
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22
Summary for 8OUT
Entry DOI | 10.2210/pdb8out/pdb |
Descriptor | Mitogen-activated protein kinase kinase kinase 12, (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol (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 | 34444.32 |
Authors | Zebisch, M.,Akkermans, O.,Barker, J.J.,Cross, J.B. (deposition date: 2023-04-24, release date: 2023-07-26, Last modification date: 2024-06-19) |
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: 37436942DOI: 10.1021/acs.jmedchem.3c00788 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.935 Å) |
Structure validation
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