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6G4Y

Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a

Summary for 6G4Y
Entry DOI10.2210/pdb6g4y/pdb
DescriptorMitogen-activated protein kinase kinase kinase 14, SULFATE ION, 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, ... (4 entities in total)
Functional Keywordsprotein serine/threonine kinase, nf-kappab, map3k14, transferase
Biological sourceMus musculus (House Mouse)
Total number of polymer chains2
Total formula weight78458.17
Authors
Hole, A.J.,Hymowitz, S.G.,McEwan, P.A. (deposition date: 2018-03-28, release date: 2018-07-04, Last modification date: 2018-08-22)
Primary citationBlaquiere, 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
Cited by
PubMed: 29940120
DOI: 10.1021/acs.jmedchem.8b00678
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.65 Å)
Structure validation

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