8S0J

A fragment-based inhibitor of SHP2

This is a non-PDB format compatible entry.

Summary for 8S0J

• Entry DOI: 10.2210/pdb8s0j/pdb
• Descriptor: Tyrosine-protein phosphatase non-receptor type 11, 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine (3 entities in total)
• Functional Keywords: protein tyrosine phophatase, sh2 domain, autoinhibition, allostery, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 124440.01

Authors

Cleasby, A.,Price, A. (deposition date: 2024-02-14, release date: 2024-03-20, Last modification date: 2024-04-10)

• Primary citation: Day, J.E.H.,Berdini, V.,Castro, J.,Chessari, G.,Davies, T.G.,Day, P.J.,St Denis, J.D.,Fujiwara, H.,Fukaya, S.,Hamlett, C.C.F.,Hearn, K.,Hiscock, S.D.,Holvey, R.S.,Ito, S.,Kandola, N.,Kodama, Y.,Liebeschuetz, J.W.,Martins, V.,Matsuo, K.,Mortenson, P.N.,Muench, S.,Nakatsuru, Y.,Ochiiwa, H.,Palmer, N.,Peakman, T.,Price, A.,Reader, M.,Rees, D.C.,Rich, S.J.,Shah, A.,Shibata, Y.,Smyth, T.,Twigg, D.G.,Wallis, N.G.,Williams, G.,Wilsher, N.E.,Woodhead, A.,Shimamura, T.,Johnson, C.N.; Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).; J.Med.Chem., 67:4655-4675, 2024; PubMed: 38462716; DOI: 10.1021/acs.jmedchem.3c02118

Experimental method

X-RAY DIFFRACTION (1.89 Å)