6VNS

Crystal structure of TYK2 kinase with compound 13

Summary for 6VNS

Entry DOI	10.2210/pdb6vns/pdb
Descriptor	Non-receptor tyrosine-protein kinase TYK2, (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide (3 entities in total)
Functional Keywords	kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	36962.99
Authors	Vajdos, F.F. (deposition date: 2020-01-29, release date: 2020-04-08, Last modification date: 2023-11-15)
Primary citation	Fensome, A.,Ambler, C.M.,Arnold, E.,Banker, M.E.,Clark, J.D.,Dowty, M.E.,Efremov, I.V.,Flick, A.,Gerstenberger, B.S.,Gifford, R.S.,Gopalsamy, A.,Hegen, M.,Jussif, J.,Limburg, D.C.,Lin, T.H.,Pierce, B.S.,Sharma, R.,Trujillo, J.I.,Vajdos, F.F.,Vincent, F.,Wan, Z.K.,Xing, L.,Yang, X.,Yang, X. Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1. Bioorg.Med.Chem., 28:115481-115481, 2020 Cited by PubMed: 32253095 DOI: 10.1016/j.bmc.2020.115481 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.09 Å)

Structure validation