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TitleDiscovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 4594-4604, Year 2012
Publish dateDec 7, 2011 (structure data deposition date)
AuthorsHeald, R.A. / Jackson, P. / Savy, P. / Jones, M. / Gancia, E. / Burton, B. / Newman, R. / Boggs, J. / Chan, E. / Chan, J. ...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.
External linksJ. Med. Chem. / PubMed:22506516
MethodsX-ray diffraction
Resolution2.7 - 2.705 Å
Structure data

PDB-3v01:
Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.
Method: X-RAY DIFFRACTION / Resolution: 2.705 Å

PDB-3v04:
Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-3V0:
N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide

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

ChemComp-MG:
Unknown entry

ChemComp-V04:
4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide

Source
  • homo sapiens (human)
KeywordsTransferase/Inhibitor / Kinase / Transferase-Inhibitor complex

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