3V01

Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.

Summary for 3V01

• Entry DOI: 10.2210/pdb3v01/pdb
• Related: 3V04
• Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ... (4 entities in total)
• Functional Keywords: kinase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm, cytoskeleton, centrosome: Q02750
• Total number of polymer chains: 1
• Total formula weight: 38949.32

Authors

Heald, R.,Jackson, P.,Savy, P.,Jones, M.,Gancia, E.,Burton, B.,Newman, R.,Boggs, J.,Chan, E.,Chan, J.,Choo, E.,Merchant, M.,Ultsch, M.,Wiesmann, C.,Belvin, M.,Price, S. (deposition date: 2011-12-07, release date: 2012-05-09, Last modification date: 2023-09-13)

• Primary citation: Heald, R.A.,Jackson, P.,Savy, P.,Jones, M.,Gancia, E.,Burton, B.,Newman, R.,Boggs, J.,Chan, E.,Chan, J.,Choo, E.,Merchant, M.,Rudewicz, P.,Ultsch, M.,Wiesmann, C.,Yue, Q.,Belvin, M.,Price, S.; Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.; J.Med.Chem., 55:4594-4604, 2012; PubMed: 22506516; DOI: 10.1021/jm2017094

Experimental method

X-RAY DIFFRACTION (2.705 Å)