3OS3

Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP

Summary for 3OS3

Entry DOI	10.2210/pdb3os3/pdb
Related	3ORN
Descriptor	Dual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-TRIPHOSPHATE, 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ... (5 entities in total)
Functional Keywords	kinase, kinase inhibitor, allosteric, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens More
Cellular location	Cytoplasm, cytoskeleton, microtubule organizing center, centrosome : Q02750
Total number of polymer chains	1
Total formula weight	35208.29
Authors	Lukacs, C.M.,Janson, C.,Schuck, V.,Belunis, C. (deposition date: 2010-09-08, release date: 2011-07-27, Last modification date: 2024-02-21)
Primary citation	Isshiki, Y.,Kohchi, Y.,Iikura, H.,Matsubara, Y.,Asoh, K.,Murata, T.,Kohchi, M.,Mizuguchi, E.,Tsujii, S.,Hattori, K.,Miura, T.,Yoshimura, Y.,Aida, S.,Miwa, M.,Saitoh, R.,Murao, N.,Okabe, H.,Belunis, C.,Janson, C.,Lukacs, C.,Schuck, V.,Shimma, N. Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. Bioorg.Med.Chem.Lett., 21:1795-1801, 2011 Cited by PubMed: 21316218 DOI: 10.1016/j.bmcl.2011.01.062 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.8 Å)

Structure validation