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Structure paper

TitleMultivalent Small-Molecule Pan-RAS Inhibitors.
Journal, issue, pagesCell, Vol. 168, Page 878-889.e29, Year 2017
Publish dateFeb 8, 2017 (structure data deposition date)
AuthorsWelsch, M.E. / Kaplan, A. / Chambers, J.M. / Stokes, M.E. / Bos, P.H. / Zask, A. / Zhang, Y. / Sanchez-Martin, M. / Badgley, M.A. / Huang, C.S. ...Welsch, M.E. / Kaplan, A. / Chambers, J.M. / Stokes, M.E. / Bos, P.H. / Zask, A. / Zhang, Y. / Sanchez-Martin, M. / Badgley, M.A. / Huang, C.S. / Tran, T.H. / Akkiraju, H. / Brown, L.M. / Nandakumar, R. / Cremers, S. / Yang, W.S. / Tong, L. / Olive, K.P. / Ferrando, A. / Stockwell, B.R.
External linksCell / PubMed:28235199
MethodsX-ray diffraction
Resolution1.5 - 1.94 Å
Structure data

PDB-5uqw:
Crystal structure of human KRAS G12V mutant in complex with GDP
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5us4:
Crystal structure of human KRAS G12D mutant in complex with GDP
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-5usj:
Crystal Structure of human KRAS G12D mutant in complex with GDPNP
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-GDP:
GUANOSINE-5'-DIPHOSPHATE / GDP, energy-carrying molecule*YM

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

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

Source
  • homo sapiens (human)
KeywordsHYDROLASE / KRAS / GTPase

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