6G93

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2

6G93 の概要

• エントリーDOI: 10.2210/pdb6g93/pdb
• 関連するPDBエントリー: 6G8X 6G91 6G92
• 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, ... (4 entities in total)
• 機能のキーワード: erk2 kinase inhibitor, 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: 43377.03

構造登録者

O'Reilly, M. (登録日: 2018-04-10, 公開日: 2018-05-30, 最終更新日: 2018-06-27)

• 主引用文献: Heightman, T.D.,Berdini, V.,Braithwaite, H.,Buck, I.M.,Cassidy, M.,Castro, J.,Courtin, A.,Day, J.E.H.,East, C.,Fazal, L.,Graham, B.,Griffiths-Jones, C.M.,Lyons, J.F.,Martins, V.,Muench, S.,Munck, J.M.,Norton, D.,O'Reilly, M.,Palmer, N.,Pathuri, P.,Reader, M.,Rees, D.C.,Rich, S.J.,Richardson, C.,Saini, H.,Thompson, N.T.,Wallis, N.G.,Walton, H.,Wilsher, N.E.,Woolford, A.J.,Cooke, M.,Cousin, D.,Onions, S.,Shannon, J.,Watts, J.,Murray, C.W.; Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.; J. Med. Chem., 61:4978-4992, 2018; PubMed: 29775310; DOI: 10.1021/acs.jmedchem.8b00421

実験手法

X-RAY DIFFRACTION (1.67 Å)