3PP1

Crystal Structure of the Human Mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgATP

Summary for 3PP1

Entry DOI	10.2210/pdb3pp1/pdb
Related	3MBL
Descriptor	Dual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... (6 entities in total)
Functional Keywords	kinase domain, kinase, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm, cytoskeleton, microtubule organizing center, centrosome : Q02750
Total number of polymer chains	1
Total formula weight	37734.98
Authors	Dougan, D.R. (deposition date: 2010-11-23, release date: 2011-02-23, Last modification date: 2024-02-21)
Primary citation	Dong, Q.,Dougan, D.R.,Gong, X.,Halkowycz, P.,Jin, B.,Kanouni, T.,O'Connell, S.M.,Scorah, N.,Shi, L.,Wallace, M.B.,Zhou, F. Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer. Bioorg.Med.Chem.Lett., 21:1315-1319, 2011 Cited by PubMed Abstract: A novel 5-phenylamino-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione series of MEK inhibitors has been developed using structure-based drug design. Lead optimization of this series led to the discovery of TAK-733. This was advanced to Phase I clinical studies for cancer treatment. PubMed: 21310613 DOI: 10.1016/j.bmcl.2011.01.071 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation