8U7X

Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24

Summary for 8U7X

Entry DOI	10.2210/pdb8u7x/pdb
Descriptor	Tyrosine-protein phosphatase non-receptor type 11, (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (3 entities in total)
Functional Keywords	phosphatase, inhibitor, shp2, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	125095.91
Authors	Mou, T.C. (deposition date: 2023-09-15, release date: 2024-01-03)
Primary citation	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 Cited by PubMed: 38116446 DOI: 10.1021/acsmedchemlett.3c00310 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.06 Å)

Structure validation