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TitleDiscovery of cell active macrocyclic peptides with on-target inhibition of KRAS signaling.
Journal, issue, pagesChem Sci, Vol. 12, Page 15975-15987, Year 2021
Publish dateAug 2, 2021 (structure data deposition date)
AuthorsLim, S. / Boyer, N. / Boo, N. / Huang, C. / Venkatachalam, G. / Angela Juang, Y.C. / Garrigou, M. / Kaan, H.Y.K. / Duggal, R. / Peh, K.M. ...Lim, S. / Boyer, N. / Boo, N. / Huang, C. / Venkatachalam, G. / Angela Juang, Y.C. / Garrigou, M. / Kaan, H.Y.K. / Duggal, R. / Peh, K.M. / Sadruddin, A. / Gopal, P. / Yuen, T.Y. / Ng, S. / Kannan, S. / Brown, C.J. / Verma, C.S. / Orth, P. / Peier, A. / Ge, L. / Yu, X. / Bhatt, B. / Chen, F. / Wang, E. / Li, N.J. / Gonzales, R.J. / Stoeck, A. / Henry, B. / Sawyer, T.K. / Lane, D.P. / Johannes, C.W. / Biswas, K. / Partridge, A.W.
External linksChem Sci / PubMed:35024121
MethodsX-ray diffraction
Resolution1.32 Å
Structure data

PDB-7rov:
KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

Chemicals

ChemComp-GCP:
PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER / GMP-PCP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsHYDROLASE / KRAS / cyclic peptide / non-natural amino acid

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