4Z16

Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide

Summary for 4Z16

• Entry DOI: 10.2210/pdb4z16/pdb
• Descriptor: Tyrosine-protein kinase JAK3, N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide (3 entities in total)
• Functional Keywords: tyrosine kinase, kinase domain, covalent inhibitor complex, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Endomembrane system ; Peripheral membrane protein : P52333
• Total number of polymer chains: 4
• Total formula weight: 145875.42

Authors

McNally, R.,Tan, L.,Gray, N.S.,Eck, M.J. (deposition date: 2015-03-26, release date: 2016-02-10, Last modification date: 2023-11-15)

• Primary citation: Tan, L.,Akahane, K.,McNally, R.,Reyskens, K.M.,Ficarro, S.B.,Liu, S.,Herter-Sprie, G.S.,Koyama, S.,Pattison, M.J.,Labella, K.,Johannessen, L.,Akbay, E.A.,Wong, K.K.,Frank, D.A.,Marto, J.A.,Look, T.A.,Arthur, J.S.,Eck, M.J.,Gray, N.S.; Development of Selective Covalent Janus Kinase 3 Inhibitors.; J.Med.Chem., 58:6589-6606, 2015; PubMed: 26258521; DOI: 10.1021/acs.jmedchem.5b00710

Experimental method

X-RAY DIFFRACTION (2.9 Å)