7JVM

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155

Summary for 7JVM

• Entry DOI: 10.2210/pdb7jvm/pdb
• Descriptor: Tyrosine-protein phosphatase non-receptor type 11, (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: phosphatase ptp, inhibitor, ptpn11, allosteric, shp2, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 121909.63

Authors

Fodor, M.,Stams, T. (deposition date: 2020-08-21, release date: 2020-09-23, Last modification date: 2023-10-18)

• Primary citation: LaMarche, M.J.,Acker, M.,Argintaru, A.,Bauer, D.,Boisclair, J.,Chan, H.,Chen, C.H.,Chen, Y.N.,Chen, Z.,Deng, Z.,Dore, M.,Dunstan, D.,Fan, J.,Fekkes, P.,Firestone, B.,Fodor, M.,Garcia-Fortanet, J.,Fortin, P.D.,Fridrich, C.,Giraldes, J.,Glick, M.,Grunenfelder, D.,Hao, H.X.,Hentemann, M.,Ho, S.,Jouk, A.,Kang, Z.B.,Karki, R.,Kato, M.,Keen, N.,Koenig, R.,LaBonte, L.R.,Larrow, J.,Liu, G.,Liu, S.,Majumdar, D.,Mathieu, S.,Meyer, M.J.,Mohseni, M.,Ntaganda, R.,Palermo, M.,Perez, L.,Pu, M.,Ramsey, T.,Reilly, J.,Sarver, P.,Sellers, W.R.,Sendzik, M.,Shultz, M.D.,Slisz, J.,Slocum, K.,Smith, T.,Spence, S.,Stams, T.,Straub, C.,Tamez Jr., V.,Toure, B.B.,Towler, C.,Wang, P.,Wang, H.,Williams, S.L.,Yang, F.,Yu, B.,Zhang, J.H.,Zhu, S.; Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.; J.Med.Chem., 63:13578-13594, 2020; PubMed: 32910655; DOI: 10.1021/acs.jmedchem.0c01170

Experimental method

X-RAY DIFFRACTION (2.166 Å)