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TitleMachine-learning analysis of molecular dynamics simulations to elucidate the effect of strain and preorganization on conformational modes of motion in cyclic peptides
Journal, issue, pagesTo Be Published
Publish dateSep 14, 2022 (structure data deposition date)
AuthorsMuellers, S.N. / Allen, K.N. / Whitty, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.29 Å
Structure data

PDB-8ehv:
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPET(bAla)E]
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

Chemicals

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsPROTEIN BINDING / Protein-protein interaction / inhibitor

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