6G4Z

Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f

Summary for 6G4Z

• Entry DOI: 10.2210/pdb6g4z/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase 14, 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide (3 entities in total)
• Functional Keywords: protein serine/threonine kinase, nf-kappab, map3k14, transferase
• Biological source: Mus musculus (Mouse)
• Total number of polymer chains: 2
• Total formula weight: 77869.61

Authors

Leonardo-Silvestre, H.,McEwan, P.A.,Hymowitz, S.G. (deposition date: 2018-03-28, release date: 2018-07-04, Last modification date: 2024-01-17)

• Primary citation: Blaquiere, N.,Castanedo, G.M.,Burch, J.D.,Berezhkovskiy, L.M.,Brightbill, H.,Brown, S.,Chan, C.,Chiang, P.C.,Crawford, J.J.,Dong, T.,Fan, P.,Feng, J.,Ghilardi, N.,Godemann, R.,Gogol, E.,Grabbe, A.,Hole, A.J.,Hu, B.,Hymowitz, S.G.,Alaoui Ismaili, M.H.,Le, H.,Lee, P.,Lee, W.,Lin, X.,Liu, N.,McEwan, P.A.,McKenzie, B.,Silvestre, H.L.,Suto, E.,Sujatha-Bhaskar, S.,Wu, G.,Wu, L.C.,Zhang, Y.,Zhong, Z.,Staben, S.T.; Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.; J. Med. Chem., 61:6801-6813, 2018; PubMed: 29940120; DOI: 10.1021/acs.jmedchem.8b00678

Experimental method

X-RAY DIFFRACTION (2.84 Å)