8b9p

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Current revision (14:37, 20 September 2023) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 8b9p is ON HOLD until Paper Publication
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==ACE2 in complex with bicyclic peptide inhibitor==
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<StructureSection load='8b9p' size='340' side='right'caption='[[8b9p]], [[Resolution|resolution]] 2.11&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[8b9p]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8B9P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8B9P FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.11&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LFI:1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one'>LFI</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene></td></tr>
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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=8b9p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8b9p OCA], [https://pdbe.org/8b9p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8b9p RCSB], [https://www.ebi.ac.uk/pdbsum/8b9p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8b9p ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ACE2_HUMAN ACE2_HUMAN] Carboxypeptidase which converts angiotensin I to angiotensin 1-9, a peptide of unknown function, and angiotensin II to angiotensin 1-7, a vasodilator. Also able to hydrolyze apelin-13 and dynorphin-13 with high efficiency. May be an important regulator of heart function. In case of human coronaviruses SARS and HCoV-NL63 infections, serve as functional receptor for the spike glycoprotein of both coronaviruses.<ref>PMID:10969042</ref> <ref>PMID:10924499</ref> <ref>PMID:14647384</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Angiotensin-converting enzyme 2 (ACE2) is a metalloprotease that cleaves angiotensin II, a peptide substrate involved in the regulation of hypertension. Here, we identified a series of constrained bicyclic peptides, Bicycle, inhibitors of human ACE2 by panning highly diverse bacteriophage display libraries. These were used to generate X-ray crystal structures which were used to inform the design of additional Bicycles with increased affinity and inhibition of ACE2 enzymatic activity. This novel structural class of ACE2 inhibitors is among the most potent ACE2 inhibitors yet described in vitro, representing a valuable tool to further probe ACE2 function and for potential therapeutic utility.
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Authors: Brear, P., Lulla, A., Harman, M., Dods, R., Chen, L., Bezerra, G., Demydchuk, Y., Stanway, S., Hyvonen, M.
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Structure-Guided Chemical Optimization of Bicyclic Peptide (Bicycle) Inhibitors of Angiotensin-Converting Enzyme 2.,Harman MAJ, Stanway SJ, Scott H, Demydchuk Y, Bezerra GA, Pellegrino S, Chen L, Brear P, Lulla A, Hyvonen M, Beswick PJ, Skynner MJ J Med Chem. 2023 Jul 27;66(14):9881-9893. doi: 10.1021/acs.jmedchem.3c00710. Epub , 2023 Jul 11. PMID:37433017<ref>PMID:37433017</ref>
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Description: ACE2 in complex with bicyclic peptide inhibitor
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Hyvonen, M]]
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<div class="pdbe-citations 8b9p" style="background-color:#fffaf0;"></div>
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[[Category: Bezerra, G]]
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== References ==
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[[Category: Demydchuk, Y]]
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<references/>
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[[Category: Brear, P]]
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__TOC__
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[[Category: Lulla, A]]
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</StructureSection>
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[[Category: Dods, R]]
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[[Category: Homo sapiens]]
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[[Category: Stanway, S]]
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[[Category: Large Structures]]
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[[Category: Harman, M]]
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[[Category: Synthetic construct]]
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[[Category: Chen, L]]
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[[Category: Bezerra G]]
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[[Category: Brear P]]
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[[Category: Chen L]]
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[[Category: Demydchuk Y]]
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[[Category: Dods R]]
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[[Category: Harman M]]
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[[Category: Hyvonen M]]
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[[Category: Lulla A]]
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[[Category: Stanway S]]

Current revision

ACE2 in complex with bicyclic peptide inhibitor

PDB ID 8b9p

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