6MD9
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
Summary for 6MD9
Entry DOI | 10.2210/pdb6md9/pdb |
Descriptor | Tyrosine-protein phosphatase non-receptor type 11, 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, 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 | 121742.72 |
Authors | |
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 Cited by PubMed: 30688462DOI: 10.1021/acs.jmedchem.8b01725 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.12 Å) |
Structure validation
Download full validation report