6GES

Crystal structure of ERK1 covalently bound to SM1-71

Summary for 6GES

• Entry DOI: 10.2210/pdb6ges/pdb
• Related: 6G54
• Descriptor: Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide, ... (6 entities in total)
• Functional Keywords: kinase, covalent inhibitor, mapk, structural genomics, structural genomics consortium, sgc, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 88453.52

Authors

Chaikuad, A.,Suman, R.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Gray, N.S.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2018-04-27, release date: 2019-02-27, Last modification date: 2024-01-17)

• Primary citation: Rao, S.,Gurbani, D.,Du, G.,Everley, R.A.,Browne, C.M.,Chaikuad, A.,Tan, L.,Schroder, M.,Gondi, S.,Ficarro, S.B.,Sim, T.,Kim, N.D.,Berberich, M.J.,Knapp, S.,Marto, J.A.,Westover, K.D.,Sorger, P.K.,Gray, N.S.; Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.; Cell Chem Biol, 26:818-, 2019; PubMed: 30982749; DOI: 10.1016/j.chembiol.2019.02.021

Experimental method

X-RAY DIFFRACTION (2.07 Å)