8DEG

Crystal structure of DLK in complex with inhibitor DN0011197

Summary for 8DEG

Entry DOI	10.2210/pdb8deg/pdb
Descriptor	Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (3 entities in total)
Functional Keywords	dlk, kinase, inhibitor, signaling protein, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	36883.27
Authors	Srivastava, A.,Lexa, K.,de Vicente, J. (deposition date: 2022-06-20, release date: 2022-12-14, Last modification date: 2024-04-03)
Primary citation	Craig 2nd, R.A.,Fox, B.M.,Hu, C.,Lexa, K.W.,Osipov, M.,Thottumkara, A.P.,Larhammar, M.,Miyamoto, T.,Rana, A.,Kane, L.A.,Yulyaningsih, E.,Solanoy, H.,Nguyen, H.,Chau, R.,Earr, T.,Kajiwara, Y.,Fleck, D.,Lucas, A.,Haddick, P.C.G.,Takahashi, R.H.,Tong, V.,Wang, J.,Canet, M.J.,Poda, S.B.,Scearce-Levie, K.,Srivastava, A.,Sweeney, Z.K.,Xu, M.,Zhang, R.,He, J.,Lei, Y.,Zhuo, Z.,de Vicente, J. Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis. J.Med.Chem., 65:16290-16312, 2022 Cited by PubMed: 36469401 DOI: 10.1021/acs.jmedchem.2c01056 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.79 Å)

Structure validation