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TitleMassively parallel de novo protein design for targeted therapeutics.
Journal, issue, pagesNature, Vol. 550, Page 74-79, Year 2017
Publish dateApr 15, 2017 (structure data deposition date)
AuthorsChevalier, A. / Silva, D.A. / Rocklin, G.J. / Hicks, D.R. / Vergara, R. / Murapa, P. / Bernard, S.M. / Zhang, L. / Lam, K.H. / Yao, G. ...Chevalier, A. / Silva, D.A. / Rocklin, G.J. / Hicks, D.R. / Vergara, R. / Murapa, P. / Bernard, S.M. / Zhang, L. / Lam, K.H. / Yao, G. / Bahl, C.D. / Miyashita, S.I. / Goreshnik, I. / Fuller, J.T. / Koday, M.T. / Jenkins, C.M. / Colvin, T. / Carter, L. / Bohn, A. / Bryan, C.M. / Fernandez-Velasco, D.A. / Stewart, L. / Dong, M. / Huang, X. / Jin, R. / Wilson, I.A. / Fuller, D.H. / Baker, D.
External linksNature / PubMed:28953867
MethodsX-ray diffraction
Resolution1.799 - 2.75 Å
Structure data

PDB-5vid:
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-5vli:
Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
Method: X-RAY DIFFRACTION / Resolution: 1.799 Å

PDB-5vmr:
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-PGF:
2,5,8,11-TETRAOXATRIDECANE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • clostridium botulinum (bacteria)
  • unidentified (others)
  • influenza a virus (strain a/puerto rico/8/1934 h1n1)
  • synthetic construct (others)
KeywordsTOXIN / mini-protein binder / inhibitor / VIRAL PROTEIN/DE NOVO PROTEIN / protein design / influenza / hemagglutinin / VIRAL PROTEIN-DE NOVO PROTEIN complex

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