8U7W

Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7

8U7W の概要

• エントリーDOI: 10.2210/pdb8u7w/pdb
• 分子名称: Tyrosine-protein phosphatase non-receptor type 11, 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine (3 entities in total)
• 機能のキーワード: phosphatase, inhibitor, shp2, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 125020.66

構造登録者

Mou, T.C. (登録日: 2023-09-15, 公開日: 2024-01-03)

• 主引用文献: Elsayed, M.S.A.,Blake, J.F.,Boys, M.L.,Brown, E.,Chapsal, B.D.,Chicarelli, M.J.,Cook, A.W.,Fell, J.B.,Fischer, J.P.,Hanson, L.,Lemieux, C.,Martinson, M.C.,McCown, J.,McNulty, O.T.,Mejia, M.J.,Neitzel, N.A.,Otten, J.N.,Rodriguez, M.E.,Wilcox, D.,Wong, C.E.,Zhou, Y.,Hinklin, R.J.; Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.; Acs Med.Chem.Lett., 14:1673-1681, 2023; PubMed: 38116446; DOI: 10.1021/acsmedchemlett.3c00310

実験手法

X-RAY DIFFRACTION (2.05 Å)