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Structure paper

TitleDissecting Therapeutic Resistance to ERK Inhibition.
Journal, issue, pagesMol. Cancer Ther., Vol. 15, Page 548-559, Year 2016
Publish dateJan 4, 2016 (structure data deposition date)
AuthorsJha, S. / Morris, E.J. / Hruza, A. / Mansueto, M.S. / Schroeder, G.K. / Arbanas, J. / McMasters, D. / Restaino, C.R. / Dayananth, P. / Black, S. ...Jha, S. / Morris, E.J. / Hruza, A. / Mansueto, M.S. / Schroeder, G.K. / Arbanas, J. / McMasters, D. / Restaino, C.R. / Dayananth, P. / Black, S. / Elsen, N.L. / Mannarino, A. / Cooper, A. / Fawell, S. / Zawel, L. / Jayaraman, L. / Samatar, A.A.
External linksMol. Cancer Ther. / PubMed:26832798
MethodsX-ray diffraction
Resolution1.45 - 1.69 Å
Structure data

PDB-5hd4:
Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-5hd7:
Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

Chemicals

ChemComp-38Z:
(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE / SERINE/THREONINE-PROTEIN KINASE / MAP KINASE / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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