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TitleSeries of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 13796-13824, Year 2020
Publish dateJun 19, 2020 (structure data deposition date)
AuthorsAlleyne, C. / Amin, R.P. / Bhatt, B. / Bianchi, E. / Blain, J.C. / Boyer, N. / Branca, D. / Embrey, M.W. / Ha, S.N. / Jette, K. ...Alleyne, C. / Amin, R.P. / Bhatt, B. / Bianchi, E. / Blain, J.C. / Boyer, N. / Branca, D. / Embrey, M.W. / Ha, S.N. / Jette, K. / Johns, D.G. / Kerekes, A.D. / Koeplinger, K.A. / LaPlaca, D. / Li, N. / Murphy, B. / Orth, P. / Ricardo, A. / Salowe, S. / Seyb, K. / Shahripour, A. / Stringer, J.R. / Sun, Y. / Tracy, R. / Wu, C. / Xiong, Y. / Youm, H. / Zokian, H.J. / Tucker, T.J.
External linksJ. Med. Chem. / PubMed:33170686
MethodsX-ray diffraction
Resolution1.377 - 1.774 Å
Structure data

PDB-6xib:
PCSK9(deltaCRD) in complex with cyclic peptide 30
Method: X-RAY DIFFRACTION / Resolution: 1.546 Å

PDB-6xic:
PCSK9(deltaCRD) in complex with cyclic peptide 40
Method: X-RAY DIFFRACTION / Resolution: 1.377 Å

PDB-6xid:
PCSK9(deltaCRD) in complex with cyclic peptide 51
Method: X-RAY DIFFRACTION / Resolution: 1.482 Å

PDB-6xie:
PCSK9(deltaCRD) in complex with cyclic peptide 77
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-6xif:
PCSK9(deltaCRD) in complex with cyclic peptide 83
Method: X-RAY DIFFRACTION / Resolution: 1.774 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsHYDROLASE/INHIBITOR / protein-peptide complex / cyclic peptide / non-natural amino acids / HYDROLASE / HYDROLASE-INHIBITOR complex

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