5T8O

Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3

Summary for 5T8O

• Entry DOI: 10.2210/pdb5t8o/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase 14, SULFATE ION, 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, ... (4 entities in total)
• Functional Keywords: protein serine/threonine kinase, nf-kappab, map3k14, transferase
• Biological source: Mus musculus (House mouse)
• Cellular location: Cytoplasm: Q9WUL6
• Total number of polymer chains: 2
• Total formula weight: 78382.01

Authors

Smith, M.A.,McEwan, P.,Hymowitz, S.G. (deposition date: 2016-09-08, release date: 2017-01-11, Last modification date: 2024-05-08)

• Primary citation: Castanedo, G.M.,Blaquiere, N.,Beresini, M.,Bravo, B.,Brightbill, H.,Chen, J.,Cui, H.F.,Eigenbrot, C.,Everett, C.,Feng, J.,Godemann, R.,Gogol, E.,Hymowitz, S.,Johnson, A.,Kayagaki, N.,Kohli, P.B.,Knuppel, K.,Kraemer, J.,Kruger, S.,Loke, P.,McEwan, P.,Montalbetti, C.,Roberts, D.A.,Smith, M.,Steinbacher, S.,Sujatha-Bhaskar, S.,Takahashi, R.,Wang, X.,Wu, L.C.,Zhang, Y.,Staben, S.T.; Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).; J. Med. Chem., 60:627-640, 2017; PubMed: 28005357; DOI: 10.1021/acs.jmedchem.6b01363

Experimental method

X-RAY DIFFRACTION (2.41 Å)