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Structure paper

TitleOptimization of Allosteric Mek Inhibitors - Part 1: Venturing Into Unexplored Sar Territories
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 2384-, Year 2013
Publish dateApr 24, 2012 (structure data deposition date)
AuthorsHartung, I.V. / Hitchcock, M. / Puehler, F. / Neuhaus, R. / Scholz, A. / Hammer, S. / Petersen, K. / Siemeister, G. / Brittain, D. / Hillig, R.C.
External linksBioorg. Med. Chem. Lett. / PubMed:23474388
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-4ark:
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MAP KINASE KINASE 1 (MEK1) IN COMPLEX WITH A SMALL MOLECULE INHIBITOR AND ADP
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-M3K:
2-([3R-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / KINASE / INHIBITOR

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