6MDA

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4

Summary for 6MDA

• Entry DOI: 10.2210/pdb6mda/pdb
• Descriptor: Tyrosine-protein phosphatase non-receptor type 11, 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: shp2, ptpn11, protein tyrosine phosphatase, phosphatase, allosteric inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 121676.51

Authors

Fodor, M.,Stams, T. (deposition date: 2018-09-04, release date: 2019-02-13, Last modification date: 2023-10-11)

• Primary citation: Bagdanoff, J.T.,Chen, Z.,Acker, M.,Chen, Y.N.,Chan, H.,Dore, M.,Firestone, B.,Fodor, M.,Fortanet, J.,Hentemann, M.,Kato, M.,Koenig, R.,LaBonte, L.R.,Liu, S.,Mohseni, M.,Ntaganda, R.,Sarver, P.,Smith, T.,Sendzik, M.,Stams, T.,Spence, S.,Towler, C.,Wang, H.,Wang, P.,Williams, S.L.,LaMarche, M.J.; Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.; J. Med. Chem., 62:1781-1792, 2019; PubMed: 30688462; DOI: 10.1021/acs.jmedchem.8b01725

Experimental method

X-RAY DIFFRACTION (2.21 Å)