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Structure paper

TitleDiscovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 1315-1319, Year 2011
Publish dateNov 23, 2010 (structure data deposition date)
AuthorsDong, 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.
External linksBioorg. Med. Chem. Lett. / PubMed:21310613
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-3pp1:
Crystal Structure of the Human Mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgATP
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-IZG:
3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione / inhibitor*YM

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase domain / Kinase / ATP binding / TRANSFERASE-TRANSFERASE INHIBITOR complex

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