6DBN

Jak1 with compound 23

Summary for 6DBN

• Entry DOI: 10.2210/pdb6dbn/pdb
• Descriptor: Tyrosine-protein kinase JAK1, [(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: 36806.87

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; PubMed: 30113844; DOI: 10.1021/acs.jmedchem.8b00917

Experimental method

X-RAY DIFFRACTION (2.48 Å)