6MDB

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5

6MDB の概要

• エントリーDOI: 10.2210/pdb6mdb/pdb
• 分子名称: Tyrosine-protein phosphatase non-receptor type 11, 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: shp2, ptpn11, protein tyrosine phosphatase, phosphatase, allosteric inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase, hydrolase/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: 121769.58

構造登録者

Fodor, M.,Stams, T. (登録日: 2018-09-04, 公開日: 2019-02-13, 最終更新日: 2023-10-11)

• 主引用文献: Sarver, P.,Acker, M.,Bagdanoff, J.T.,Chen, Z.,Chen, Y.N.,Chan, H.,Firestone, B.,Fodor, M.,Fortanet, J.,Hao, H.,Hentemann, M.,Kato, M.,Koenig, R.,LaBonte, L.R.,Liu, G.,Liu, S.,Liu, C.,McNeill, E.,Mohseni, M.,Sendzik, M.,Stams, T.,Spence, S.,Tamez, V.,Tichkule, R.,Towler, C.,Wang, H.,Wang, P.,Williams, S.L.,Yu, B.,LaMarche, M.J.; 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.; J. Med. Chem., 62:1793-1802, 2019; PubMed: 30688459; DOI: 10.1021/acs.jmedchem.8b01726

実験手法

X-RAY DIFFRACTION (2.34 Å)