8byj

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (14:39, 20 September 2023) (edit) (undo)
 
Line 1: Line 1:
-
'''Unreleased structure'''
 
-
The entry 8byj is ON HOLD until Paper Publication
+
==The structures of Ace2 in complex with bicyclic peptide inhibitor==
 +
<StructureSection load='8byj' size='340' side='right'caption='[[8byj]], [[Resolution|resolution]] 2.07&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[8byj]] 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=8BYJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8BYJ FirstGlance]. <br>
 +
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.07&#8491;</td></tr>
 +
<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=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8byj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8byj OCA], [https://pdbe.org/8byj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8byj RCSB], [https://www.ebi.ac.uk/pdbsum/8byj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8byj ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[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>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
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.
-
Authors: Brear, P., Lulla, A., Harman, M., Dods, R., Chen, L., Bezerra, G., Demydchuk, Y., Stanway, S., Hyvonen, M.
+
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>
-
Description: The structures of Ace2 in complex with bicyclic peptide inhibitor
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-
[[Category: Unreleased Structures]]
+
</div>
-
[[Category: Stanway, S]]
+
<div class="pdbe-citations 8byj" style="background-color:#fffaf0;"></div>
-
[[Category: Hyvonen, M]]
+
== References ==
-
[[Category: Bezerra, G]]
+
<references/>
-
[[Category: Demydchuk, Y]]
+
__TOC__
-
[[Category: Harman, M]]
+
</StructureSection>
-
[[Category: Brear, P]]
+
[[Category: Homo sapiens]]
-
[[Category: Lulla, A]]
+
[[Category: Large Structures]]
-
[[Category: Chen, L]]
+
[[Category: Synthetic construct]]
-
[[Category: Dods, R]]
+
[[Category: Bezerra G]]
 +
[[Category: Brear P]]
 +
[[Category: Chen L]]
 +
[[Category: Demydchuk Y]]
 +
[[Category: Dods R]]
 +
[[Category: Harman M]]
 +
[[Category: Hyvonen M]]
 +
[[Category: Lulla A]]
 +
[[Category: Stanway S]]

Current revision

The structures of Ace2 in complex with bicyclic peptide inhibitor

PDB ID 8byj

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/8byj"
Personal tools