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Structure paper

TitleStructure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 726-731, Year 2017
Publish dateMar 15, 2017 (structure data deposition date)
AuthorsLechtenberg, B.C. / Mace, P.D. / Sessions, E.H. / Williamson, R. / Stalder, R. / Wallez, Y. / Roth, G.P. / Riedl, S.J. / Pasquale, E.B.
External linksACS Med Chem Lett / PubMed:28740606
MethodsX-ray diffraction
Resolution1.9 - 2.2 Å
Structure data

PDB-5v60:
Phospho-ERK2 bound to AMP-PCP
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-5v61:
Phospho-ERK2 bound to bivalent inhibitor SBP2
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5v62:
Phospho-ERK2 bound to bivalent inhibitor SBP3
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-ACP:
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / AMP-PCP, energy-carrying molecule analogue*YM

ChemComp-GOL:
GLYCEROL

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-FRZ:
5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE

ChemComp-90A:
2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid

ChemComp-AKS:
N-(hex-5-yn-1-yl)hexanamide

Source
  • homo sapiens (human)
  • hiv-1 m:b_hxb2r (virus)
KeywordsTRANSFERASE / kinase / MAPK / phosphorylation / cancer / TRANSFERASE/INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE-INHIBITOR complex

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