5EHP

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836

5EHP の概要

• エントリーDOI: 10.2210/pdb5ehp/pdb
• 分子名称: Tyrosine-protein phosphatase non-receptor type 11, 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: phosphatase ptp inhibitor ptpn11 allosteric, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : Q06124
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 122134.36

構造登録者

Stams, T.,Fodor, M. (登録日: 2015-10-28, 公開日: 2016-07-06, 最終更新日: 2023-09-27)

• 主引用文献: Garcia Fortanet, J.,Chen, C.H.,Chen, Y.N.,Chen, Z.,Deng, Z.,Firestone, B.,Fekkes, P.,Fodor, M.,Fortin, P.D.,Fridrich, C.,Grunenfelder, D.,Ho, S.,Kang, Z.B.,Karki, R.,Kato, M.,Keen, N.,LaBonte, L.R.,Larrow, J.,Lenoir, F.,Liu, G.,Liu, S.,Lombardo, F.,Majumdar, D.,Meyer, M.J.,Palermo, M.,Perez, L.,Pu, M.,Ramsey, T.,Sellers, W.R.,Shultz, M.D.,Stams, T.,Towler, C.,Wang, P.,Williams, S.L.,Zhang, J.H.,LaMarche, M.J.; Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.; J.Med.Chem., 59:7773-7782, 2016; PubMed: 27347692; DOI: 10.1021/acs.jmedchem.6b00680

実験手法

X-RAY DIFFRACTION (1.85 Å)