6SMB

Human jak1 kinase domain in complex with inhibitor

Summary for 6SMB

• Entry DOI: 10.2210/pdb6smb/pdb
• Descriptor: Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide (3 entities in total)
• Functional Keywords: janus kinase 1 kinase domain (jak1), transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 70316.11

Authors

Read, J.A.,Steuber, H. (deposition date: 2019-08-21, release date: 2020-04-29, Last modification date: 2020-05-27)

• Primary citation: Su, Q.,Banks, E.,Bebernitz, G.,Bell, K.,Borenstein, C.F.,Chen, H.,Chuaqui, C.E.,Deng, N.,Ferguson, A.D.,Kawatkar, S.,Grimster, N.P.,Ruston, L.,Lyne, P.D.,Read, J.A.,Peng, X.,Pei, X.,Fawell, S.,Tang, Z.,Throner, S.,Vasbinder, M.M.,Wang, H.,Winter-Holt, J.,Woessner, R.,Wu, A.,Yang, W.,Zinda, M.,Kettle, J.G.; Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.; J.Med.Chem., 63:4517-4527, 2020; PubMed: 32297743; DOI: 10.1021/acs.jmedchem.9b01392

Experimental method

X-RAY DIFFRACTION (2.04 Å)