6DBM

Tyk2 with compound 23

Summary for 6DBM

Entry DOI	10.2210/pdb6dbm/pdb
Descriptor	Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (3 entities in total)
Functional Keywords	kinase, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	36939.97
Authors	Vajdos, F.F. (deposition date: 2018-05-03, release date: 2018-08-29, Last modification date: 2018-11-07)
Primary citation	Fensome, A.,Ambler, C.M.,Arnold, E.,Banker, M.E.,Brown, M.F.,Chrencik, J.,Clark, J.D.,Dowty, M.E.,Efremov, I.V.,Flick, A.,Gerstenberger, B.S.,Gopalsamy, A.,Hayward, M.M.,Hegen, M.,Hollingshead, B.D.,Jussif, J.,Knafels, J.D.,Limburg, D.C.,Lin, D.,Lin, T.H.,Pierce, B.S.,Saiah, E.,Sharma, R.,Symanowicz, P.T.,Telliez, J.B.,Trujillo, J.I.,Vajdos, F.F.,Vincent, F.,Wan, Z.K.,Xing, L.,Yang, X.,Yang, X.,Zhang, L. Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61:8597-8612, 2018 Cited by PubMed: 30113844 DOI: 10.1021/acs.jmedchem.8b00917 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.368 Å)

Structure validation