6MDC
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
Summary for 6MDC
Entry DOI | 10.2210/pdb6mdc/pdb |
Descriptor | Tyrosine-protein phosphatase non-receptor type 11, 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-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 | 122114.89 |
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 (2.14 Å) |
Structure validation
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