6bvu: Difference between revisions
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==SFTI-HFRW-1== | ==SFTI-HFRW-1== | ||
<StructureSection load='6bvu' size='340' side='right'caption='[[6bvu | <StructureSection load='6bvu' size='340' side='right'caption='[[6bvu]]' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[6bvu]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BVU OCA]. For a <b>guided tour on the structure components</b> use [ | <table><tr><td colspan='2'>[[6bvu]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Helianthus_annuus Helianthus annuus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BVU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6BVU FirstGlance]. <br> | ||
</td></tr><tr id=' | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR, 20 models</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DPN:D-PHENYLALANINE'>DPN</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=6bvu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6bvu OCA], [https://pdbe.org/6bvu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6bvu RCSB], [https://www.ebi.ac.uk/pdbsum/6bvu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6bvu ProSAT]</span></td></tr> | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/SFTI1_HELAN SFTI1_HELAN] Inhibits trypsin, cathepsin G, elastase, chymotrypsin and thrombin. Does not inhibit factor Xa.<ref>PMID:10390350</ref> | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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</div> | </div> | ||
<div class="pdbe-citations 6bvu" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 6bvu" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Trypsin inhibitor 3D structures|Trypsin inhibitor 3D structures]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Helianthus annuus]] | |||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Schroeder | [[Category: Schroeder CI]] | ||
Latest revision as of 15:29, 6 November 2024
SFTI-HFRW-1SFTI-HFRW-1
Structural highlights
FunctionSFTI1_HELAN Inhibits trypsin, cathepsin G, elastase, chymotrypsin and thrombin. Does not inhibit factor Xa.[1] Publication Abstract from PubMedUltrastable cyclic peptide frameworks offer great potential for drug design due to their improved bioavailability compared to their linear analogues. Using the sunflower trypsin inhibitor-1 (SFTI-1) peptide scaffold in combination with systematic N-methylation of the grafted pharmacophore led to the identification of novel subtype selective melanocortin receptor (MCR) agonists. Multiple bicyclic peptides were synthesized and tested toward their activity at MC1R and MC3-5R. Double N-methylated compound 18 showed a p Ki of 8.73 +/- 0.08 ( Ki = 1.92 +/- 0.34 nM) and a pEC50 of 9.13 +/- 0.04 (EC50 = 0.75 +/- 0.08 nM) at the human MC1R and was over 100 times more selective for MC1R. Nuclear magnetic resonance structural analysis of 18 emphasized the role of peptide bond N-methylation in shaping the conformation of the grafted pharmacophore. More broadly, this study highlights the potential of cyclic peptide scaffolds for epitope grafting in combination with N-methylation to introduce receptor subtype selectivity in the context of peptide-based drug discovery. Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.,Durek T, Cromm PM, White AM, Schroeder CI, Kaas Q, Weidmann J, Ahmad Fuaad A, Cheneval O, Harvey PJ, Daly NL, Zhou Y, Dellsen A, Osterlund T, Larsson N, Knerr L, Bauer U, Kessler H, Cai M, Hruby VJ, Plowright AT, Craik DJ J Med Chem. 2018 Apr 11. doi: 10.1021/acs.jmedchem.8b00170. PMID:29605997[2] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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