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PDBsum entry 2mmt
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References listed in PDB file
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Key reference
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Title
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Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides.
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Authors
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J.D.Hegemann,
M.De simone,
M.Zimmermann,
T.A.Knappe,
X.Xie,
F.S.Di leva,
L.Marinelli,
E.Novellino,
S.Zahler,
H.Kessler,
M.A.Marahiel.
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Ref.
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J Med Chem, 2014,
57,
5829-5834.
[DOI no: ]
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PubMed id
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Abstract
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Integrins moderate diverse important functions in the human body and are
promising targets in cancer therapy. Hence, the selective inhibition of specific
integrins is of great medicinal interest. Here, we report the optimization of a
grafted lasso peptide, yielding MccJ25(RGDF), which is a highly potent and
selective αvβ3 integrin inhibitor. Furthermore, its NMR structure was
elucidated and employed in a molecular dynamics approach, revealing information
about the integrin binding mode and selectivity profile of MccJ25(RGDF).
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