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TitleHigh-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Journal, issue, pagesAnal. Biochem., Vol. 548, Page 44-52, Year 2018
Publish dateJul 12, 2017 (structure data deposition date)
AuthorsBurns, M.C. / Howes, J.E. / Sun, Q. / Little, A.J. / Camper, D.V. / Abbott, J.R. / Phan, J. / Lee, T. / Waterson, A.G. / Rossanese, O.W. / Fesik, S.W.
External linksAnal. Biochem. / PubMed:29444450
MethodsX-ray diffraction
Resolution1.99 - 2.46 Å
Structure data

PDB-5wfo:
Ligand-bound Ras:SOS:Ras complex
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-5wfp:
Ligand-bound Ras:SOS:Ras complex
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-5wfq:
Ligand-bound Ras:SOS:Ras complex
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

PDB-5wfr:
Ligand-bound Ras:SOS:Ras complex
Method: X-RAY DIFFRACTION / Resolution: 2.46 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-GNP:
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / GppNHp, GMPPNP, energy-carrying molecule analogue*YM

ChemComp-5UU:
6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine

ChemComp-HOH:
WATER

ChemComp-5UX:
6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine

ChemComp-5UV:
7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine

ChemComp-5UW:
~{N}-(3,3-diphenylpropyl)piperidin-4-amine

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Ras / SOS / ONCOPROTEIN-DNA Binding Protein complex / ONCOPROTEIN / Protein-protein complex / MAPK / Protein-protein interaction

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