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Structure paper

TitleDiscovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 941-946, Year 2018
Publish dateMar 26, 2018 (structure data deposition date)
AuthorsAbbott, J.R. / Patel, P.A. / Howes, J.E. / Akan, D.T. / Kennedy, J.P. / Burns, M.C. / Browning, C.F. / Sun, Q. / Rossanese, O.W. / Phan, J. ...Abbott, J.R. / Patel, P.A. / Howes, J.E. / Akan, D.T. / Kennedy, J.P. / Burns, M.C. / Browning, C.F. / Sun, Q. / Rossanese, O.W. / Phan, J. / Waterson, A.G. / Fesik, S.W.
External linksACS Med Chem Lett / PubMed:30258545
MethodsX-ray diffraction
Resolution1.73 - 1.833 Å
Structure data

PDB-6cuo:
Ras:SOS:Ras in complex with a small molecule activator
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-6cup:
Ras:SOS:Ras in complex with a small molecule activator
Method: X-RAY DIFFRACTION / Resolution: 1.833 Å

PDB-6cur:
Ras:SOS:Ras in complex with a small molecule activator
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-FMT:
FORMIC ACID

ChemComp-FFS:
N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine

ChemComp-GOL:
GLYCEROL

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-FFV:
N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

ChemComp-FFY:
N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

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

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