5EHP

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

Summary for 5EHP

• Entry DOI: 10.2210/pdb5ehp/pdb
• Descriptor: 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)
• Functional Keywords: phosphatase ptp inhibitor ptpn11 allosteric, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : Q06124
• Total number of polymer chains: 2
• Total formula weight: 122134.36

Authors

Stams, T.,Fodor, M. (deposition date: 2015-10-28, release date: 2016-07-06, Last modification date: 2023-09-27)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.85 Å)