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Structure paper

TitleRDEA119/BAY 869766: a potent, selective, allosteric inhibitor of MEK1/2 for the treatment of cancer.
Journal, issue, pagesCancer Res., Vol. 69, Page 6839-6847, Year 2009
Publish dateAug 20, 2008 (structure data deposition date)
AuthorsIverson, C. / Larson, G. / Lai, C. / Yeh, L.T. / Dadson, C. / Weingarten, P. / Appleby, T. / Vo, T. / Maderna, A. / Vernier, J.M. ...Iverson, C. / Larson, G. / Lai, C. / Yeh, L.T. / Dadson, C. / Weingarten, P. / Appleby, T. / Vo, T. / Maderna, A. / Vernier, J.M. / Hamatake, R. / Miner, J.N. / Quart, B.
External linksCancer Res. / PubMed:19706763
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-3e8n:
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

ChemComp-VRA:
N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PROTEIN KINASE-LIGAND-MGATP COMPLEX / RDEA119 / RDEA-119 / MEK1 / MEK1-RDEA119 complex / Acetylation / ATP-binding / Disease mutation / Kinase / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase / Tyrosine-protein kinase

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