4U81

MEK1 Kinase bound to small molecule inhibitor G659

Summary for 4U81

Entry DOI	10.2210/pdb4u81/pdb
Related	3V01 4U7Z 4U80
Descriptor	Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, ... (5 entities in total)
Functional Keywords	kinase, complex, inhibitor, 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	38830.50
Authors	Robarge, K.D.,Ultsch, M.H.,Weismann, C. (deposition date: 2014-07-31, release date: 2014-09-24, Last modification date: 2023-09-27)
Primary citation	Robarge, K.D.,Lee, W.,Eigenbrot, C.,Ultsch, M.,Wiesmann, C.,Heald, R.,Price, S.,Hewitt, J.,Jackson, P.,Savy, P.,Burton, B.,Choo, E.F.,Pang, J.,Boggs, J.,Yang, A.,Yang, X.,Baumgardner, M. Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24:4714-4723, 2014 Cited by PubMed: 25193232 DOI: 10.1016/j.bmcl.2014.08.008 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.701 Å)

Structure validation