7NR9

Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2

Summary for 7NR9

• Entry DOI: 10.2210/pdb7nr9/pdb
• Related: 7NQQ 7NQW 7NR3 7NR5 7NR8
• Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide, ... (4 entities in total)
• Functional Keywords: serine/threonine kinase, signal transduction, map kinase, atp-binding protein, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 43215.02

Authors

O'Reilly, M.,Cleasby, A. (deposition date: 2021-03-03, release date: 2021-10-06)

• Primary citation: Heightman, T.D.,Berdini, V.,Bevan, L.,Buck, I.M.,Carr, M.G.,Courtin, A.,Coyle, J.E.,Day, J.E.H.,East, C.,Fazal, L.,Griffiths-Jones, C.M.,Howard, S.,Kucia-Tran, J.,Martins, V.,Muench, S.,Munck, J.M.,Norton, D.,O'Reilly, M.,Palmer, N.,Pathuri, P.,Peakman, T.M.,Reader, M.,Rees, D.C.,Rich, S.J.,Shah, A.,Wallis, N.G.,Walton, H.,Wilsher, N.E.,Woolford, A.J.,Cooke, M.,Cousin, D.,Onions, S.,Shannon, J.,Watts, J.,Murray, C.W.; Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.; J.Med.Chem., 64:12286-12303, 2021; PubMed: 34387469; DOI: 10.1021/acs.jmedchem.1c00905

Experimental method

X-RAY DIFFRACTION (1.906 Å)