7NR5

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

7NR5 の概要

• エントリーDOI: 10.2210/pdb7nr5/pdb
• 関連するPDBエントリー: 7NQQ 7NQW 7NR3
• 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, ... (4 entities in total)
• 機能のキーワード: serine/threonine kinase, signal transduction, map kinase, atp-binding protein, signaling protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43517.17

構造登録者

O'Reilly, M.,Cleasby, A. (登録日: 2021-03-03, 公開日: 2021-10-06)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.766 Å)