8a4v - Revision history

OCA at 09:26, 17 October 2024

2024-10-17T09:26:02Z

← Older revision		Revision as of 09:26, 17 October 2024
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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=8a4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8a4v OCA], [https://pdbe.org/8a4v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8a4v RCSB], [https://www.ebi.ac.uk/pdbsum/8a4v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8a4v 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=8a4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8a4v OCA], [https://pdbe.org/8a4v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8a4v RCSB], [https://www.ebi.ac.uk/pdbsum/8a4v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8a4v ProSAT]</span></td></tr>
	</table>		</table>
	== ~~Function~~ ==		<div style="background-color:#fffaf0;">
	~~[https~~:/~~/www~~.~~uniprot~~.~~org~~/~~uniprot~~/~~CATL1_HUMAN CATL1_HUMAN] Important for~~ the ~~overall degradation~~ of ~~proteins in lysosomes~~.		== Publication Abstract from PubMed ==
			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.

			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>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 8a4v" style="background-color:#fffaf0;"></div>
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 05:39, 5 July 2023

2023-07-05T05:39:12Z

@@ Line 1: / Line 1: @@
-The entry 8a4v is ON HOLD  until Paper Publication
+==Crystal structure of human cathepsin L with covalently bound E-64==
+<StructureSection load='8a4v' size='340' side='right'caption='[[8a4v]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
-Authors:
+== Structural highlights ==
+<table><tr><td colspan='2'>[[8a4v]] 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=8A4V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8A4V FirstGlance]. <br>
-Description:
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.65&#8491;</td></tr>
-[[Category: Unreleased Structures]]
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=E64:N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE'>E64</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>

OCA at 04:06, 13 July 2022

2022-07-13T04:06:47Z

← Older revision		Revision as of 04:06, 13 July 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 8a4v is ON HOLD		The entry 8a4v is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "8a4v" [edit=sysop:move=sysop]

2022-06-22T07:20:03Z

Protected "8a4v" [edit=sysop:move=sysop]

← Older revision	Revision as of 07:20, 22 June 2022
(No difference)

OCA: New page: '''Unreleased structure''' The entry 8a4v is ON HOLD Authors: Description: Category: Unreleased Structures

2022-06-22T07:20:01Z

New page: '''Unreleased structure''' The entry 8a4v is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 8a4v is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]