Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569

Summary for 3TCP

Related3BPR 2BRB 2POC
DescriptorTyrosine-protein kinase Mer, 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CHLORIDE ION, ... (5 entities in total)
Functional Keywordstyrosine kinase, acute lymphoblastic leukemia, rational structure-based drug design, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane ; Single-pass type I membrane protein  Q12866
Total number of polymer chains2
Total molecular weight72798.47
Primary citation
Liu, J.,Yang, C.,Simpson, C.,Deryckere, D.,Van Deusen, A.,Miley, M.J.,Kireev, D.,Norris-Drouin, J.,Sather, S.,Hunter, D.,Korboukh, V.K.,Patel, H.S.,Janzen, W.P.,Machius, M.,Johnson, G.L.,Earp, H.S.,Graham, D.K.,Frye, S.V.,Wang, X.
Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.
ACS Med Chem Lett, 3:129-134, 2012
PubMed: 22662287 (PDB entries with the same primary citation)
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.28951.2%1.5%8.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution