8oza

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Current revision (09:48, 17 October 2024) (edit) (undo)
 
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<StructureSection load='8oza' size='340' side='right'caption='[[8oza]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
<StructureSection load='8oza' size='340' side='right'caption='[[8oza]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[8oza]] is a 8 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=8OZA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8OZA FirstGlance]. <br>
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<table><tr><td colspan='2'>[[8oza]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8OZA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8OZA 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]] 1.8&#8491;</td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#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=3CN:3-AMINOPROPANE'>3CN</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TPK:(1R)-1-[(2S)-PYRROLIDIN-2-YL]ETHANE-1,2-DIOL'>TPK</scene>, <scene name='pdbligand=WRH:(2~{S},3~{R})-2,3-bis(oxidanyl)butanedial'>WRH</scene></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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=WRH:methyl+(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-[[(3~{S})-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate'>WRH</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=8oza FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8oza OCA], [https://pdbe.org/8oza PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8oza RCSB], [https://www.ebi.ac.uk/pdbsum/8oza PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8oza 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=8oza FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8oza OCA], [https://pdbe.org/8oza PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8oza RCSB], [https://www.ebi.ac.uk/pdbsum/8oza PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8oza ProSAT]</span></td></tr>
</table>
</table>
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== Function ==
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<div style="background-color:#fffaf0;">
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[https://www.uniprot.org/uniprot/CATL1_HUMAN CATL1_HUMAN] Important for the overall degradation of proteins in lysosomes.
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== Publication Abstract from PubMed ==
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Emerging RNA viruses, including SARS-CoV-2, continue to be a major threat. Cell entry of SARS-CoV-2 particles via the endosomal pathway involves cysteine cathepsins. Due to ubiquitous expression, cathepsin L (CatL) is considered a promising drug target in the context of different viral and lysosome-related diseases. We characterized the anti-SARS-CoV-2 activity of a set of carbonyl- and succinyl epoxide-based inhibitors, which were previously identified as inhibitors of cathepsins or related cysteine proteases. Calpain inhibitor XII, MG-101, and CatL inhibitor IV possess antiviral activity in the very low nanomolar EC(50) range in Vero E6 cells and inhibit CatL in the picomolar K(i) range. We show a relevant off-target effect of CatL inhibition by the coronavirus main protease alpha-ketoamide inhibitor 13b. Crystal structures of CatL in complex with 14 compounds at resolutions better than 2 A present a solid basis for structure-guided understanding and optimization of CatL inhibitors toward protease drug development.
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Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.,Falke S, Lieske J, Herrmann A, Loboda J, Karnicar K, Gunther S, Reinke PYA, Ewert W, Usenik A, Lindic N, Sekirnik A, Dretnik K, Tsuge H, Turk V, Chapman HN, Hinrichs W, Ebert G, Turk D, Meents A J Med Chem. 2024 May 9;67(9):7048-7067. doi: 10.1021/acs.jmedchem.3c02351. Epub , 2024 Apr 17. PMID:38630165<ref>PMID:38630165</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 8oza" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Synthetic construct]]
 
[[Category: Chapman HN]]
[[Category: Chapman HN]]
[[Category: Ewert W]]
[[Category: Ewert W]]

Current revision

Human cathepsin L in complex with covalently bound CA-074 methyl ester

PDB ID 8oza

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