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| <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=8dpy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8dpy OCA], [https://pdbe.org/8dpy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8dpy RCSB], [https://www.ebi.ac.uk/pdbsum/8dpy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8dpy ProSAT]</span></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=8dpy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8dpy OCA], [https://pdbe.org/8dpy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8dpy RCSB], [https://www.ebi.ac.uk/pdbsum/8dpy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8dpy ProSAT]</span></td></tr> |
| </table> | | </table> |
| <div style="background-color:#fffaf0;">
| |
| == Publication Abstract from PubMed ==
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| Mimics of protein secondary and tertiary structure offer rationally-designed inhibitors of biomolecular interactions. beta-Sheet mimics have a storied history in bioorganic chemistry and are typically designed with synthetic or natural turn segments. We hypothesized that replacement of terminal inter-beta-strand hydrogen bonds with hydrogen bond surrogates (HBS) may lead to conformationally-defined macrocyclic beta-sheets without the requirement for natural or synthetic beta-turns, thereby providing a minimal mimic of protein beta-sheets. To access turn-less antiparallel beta-sheet mimics, we developed a facile solid phase synthesis protocol. We surveyed a dataset of protein beta-sheets for naturally observed interstrand side chain interactions. This bioinformatics survey highlighted an over-abundance of aromatic-aromatic, cation-pi and ionic interactions in beta-sheets. In correspondence with natural beta-sheets, we find that minimal HBS mimics show robust beta-sheet formation when a specific pairing is incorporated. In isolated beta-sheets, aromatic interactions endow superior conformational stability over ionic or cation-pi interactions. Circular dichroism and NMR spectroscopies, along with high-resolution X-ray crystallography, support our design principles.
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| Macrocyclic beta-Sheets Stabilized by Hydrogen Bond Surrogates.,Nazzaro A, Lu B, Sawyer N, Watkins AM, Arora PS Angew Chem Int Ed Engl. 2023 May 11:e202303943. doi: 10.1002/anie.202303943. PMID:37170337<ref>PMID:37170337</ref>
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| From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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| </div>
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| <div class="pdbe-citations 8dpy" style="background-color:#fffaf0;"></div>
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| == References ==
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| <references/>
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| __TOC__ | | __TOC__ |
| </StructureSection> | | </StructureSection> |
