2mmt

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'''Unreleased structure'''
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==Lasso peptide-based integrin inhibitor: Microcin J25 variant with RGDF substitution of Gly12-Ile13-Gly14-Thr15==
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<StructureSection load='2mmt' size='340' side='right' caption='[[2mmt]], [[NMR_Ensembles_of_Models | 15 NMR models]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2mmt]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MMT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2MMT FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2mmt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mmt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2mmt RCSB], [http://www.ebi.ac.uk/pdbsum/2mmt PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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 alphavbeta3 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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The entry 2mmt is ON HOLD until Paper Publication
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Rational Improvement of the Affinity and Selectivity of Integrin Binding of Grafted Lasso Peptides.,Hegemann JD, De Simone M, Zimmermann M, Knappe TA, Xie X, Di Leva FS, Marinelli L, Novellino E, Zahler S, Kessler H, Marahiel MA J Med Chem. 2014 Jun 27. PMID:24949551<ref>PMID:24949551</ref>
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Authors: Hegemann, J.D., Zimmermann, M., Knappe, T.A., Xie, X., Marahiel, M.A.
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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Description: Lasso peptide-based integrin inhibitor: Microcin J25 variant with RGDF substitution of Gly12-Ile13-Gly14-Thr15
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Hegemann, J D.]]
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[[Category: Knappe, T A.]]
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[[Category: Marahiel, M A.]]
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[[Category: Xie, X.]]
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[[Category: Zimmermann, M.]]
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[[Category: Antibiotic]]
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[[Category: Drug design]]
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[[Category: Epitope grafting]]
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[[Category: Integrin inhibitor]]
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[[Category: Lasso peptide]]
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[[Category: Molecular dynamic]]
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[[Category: Molecular scaffold]]

Revision as of 08:36, 2 July 2014

Lasso peptide-based integrin inhibitor: Microcin J25 variant with RGDF substitution of Gly12-Ile13-Gly14-Thr15

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