View source for 6fce


==NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors==
<StructureSection load='6fce' size='340' side='right'caption='[[6fce]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6fce]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6FCE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6FCE FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR, 10 models</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AC5:1-AMINOCYCLOPENTANECARBOXYLIC+ACID'>AC5</scene>, <scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6fce FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6fce OCA], [https://pdbe.org/6fce PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6fce RCSB], [https://www.ebi.ac.uk/pdbsum/6fce PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6fce ProSAT]</span></td></tr>
</table>
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== Publication Abstract from PubMed ==
We report the development of macrocyclic melanocortin derivatives of MT-II and SHU-9119, achieved by modifying the cycle dimension, and incorporating constrained amino acids in ring-closing. This study culminated in the discovery of novel agonists/antagonists with an unprecedented activity profile, by adding pieces to the puzzle of the melanocortin receptor selec-tivity. Finally, the resulting 19- and 20-membered rings represent a suitable frame for the design of further therapeutic ligands as selective modulators of the melanocortin system.

Development of Macrocyclic Peptidomimetics Containing Constrained alpha,alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors.,Merlino F, Zhou Y, Cai M, Carotenuto A, Yousif AM, Brancaccio D, Di Maro S, Zappavigna S, Limatola A, Novellino E, Grieco P, Hruby VJ J Med Chem. 2018 Apr 16. doi: 10.1021/acs.jmedchem.8b00488. PMID:29660981<ref>PMID:29660981</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6fce" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Synthetic construct]]
[[Category: Brancaccio D]]
[[Category: Cai M]]
[[Category: Carotenuto A]]
[[Category: Di Maro S]]
[[Category: Grieco P]]
[[Category: Hruby VJ]]
[[Category: Merlino F]]
[[Category: Novellino E]]
[[Category: Yousif AM]]
[[Category: Zhou Y]]