5y4l - Revision history

OCA at 10:21, 27 March 2024

OCA — Wed, 27 Mar 2024 10:21:39 GMT

←Older revision		Revision as of 10:21, 27 March 2024
Line 1:		Line 1:

	==PRRSV nsp4==		==PRRSV nsp4==
-	<StructureSection load='5y4l' size='340' side='right' caption='[[5y4l]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='5y4l' size='340' side='right'caption='[[5y4l]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5y4l]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Prrsv Prrsv~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y4L OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5Y4L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5y4l]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Porcine_reproductive_and_respiratory_syndrome_virus Porcine reproductive and respiratory syndrome virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y4L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5Y4L FirstGlance]. <br>
-	</td></tr><tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~ORF1a (~~[~~http://www~~.~~ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info~~&~~srchmode=5&id=28344 PRRSV])~~</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]] 2.198Å</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5y4l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y4l OCA], [~~http~~://pdbe.org/5y4l PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5y4l RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5y4l PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5y4l 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=5y4l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y4l OCA], [https://pdbe.org/5y4l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5y4l RCSB], [https://www.ebi.ac.uk/pdbsum/5y4l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5y4l ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/A1E8J1_PRRSV A1E8J1_PRRSV]
-	Porcine reproductive and respiratory syndrome virus (PRRSV) and porcine epidemic diarrhea virus (PEDV) are highly virulent and contagious porcine pathogens that cause tremendous economic losses to the swine industry worldwide. Currently, there is no effective treatment for PRRSV and PEDV, and commercial vaccines do not induce sterilizing immunity. In this study, we screened a library of 1000 compounds and identified two specific inhibitors, designated compounds 2 and 3, which target the PRRSV 3C-like serine protease (3CLSP). First, we evaluated the inhibitory effects of compounds 2 and 3 on PRRSV 3CLSP activity. Next, we determined the anti-PRRSV capacity of compounds 2 and 3 in MARC-145 cells and obtained EC50 and CC50 values of 57muM (CC50=479.9muM) and 56.8muM (CC50=482.8muM), respectively. Importantly, compounds 2 and 3 also targeted the PEDV 3C-like protease (3CL protease) and inhibited PEDV replication, showing EC50 and CC50 values of 100muM (CC50=533.8muM) and 57.9muM (CC50=522.3muM), respectively. Finally, our results indicated that the active sites (His39 in 3CLSP and His41 in 3CL protease) were conservative, and contacted compounds 2 and 3 via hydrogen bonds and hydrophobic forces in the putative substrate-binding models. In summary, compounds 2 and 3 exhibit broad-spectrum antiviral activity and may facilitate the development of antiviral drugs against PRRSV and PEDV.	+
-		+
-	Identification of two antiviral inhibitors targeting 3C-like serine/3C-like protease of porcine reproductive and respiratory syndrome virus and porcine epidemic diarrhea virus.,Shi Y, Lei Y, Ye G, Sun L, Fang L, Xiao S, Fu ZF, Yin P, Song Y, Peng G Vet Microbiol. 2018 Jan;213:~~114-122. doi: 10.1016~~/~~j.vetmic.2017.11.031. Epub 2017, Nov 24. PMID:29291994<ref>PMID:29291994<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 5y4l" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references~~/>	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Prrsv~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Gang, Y~~]]	+	[[Category: Porcine reproductive and respiratory syndrome virus]]
-	[[Category: ~~Peng, G Q]]~~	+	[[Category: Gang Y]]
-	~~[[Category: Shi,~~ Y J]]	+	[[Category: Peng GQ]]
-	[[Category: ~~3c-like serine protease~~]]	+	[[Category: Shi YJ]]
-	[[Category: ~~Apo-structure]]~~	+
-	~~[[Category: Polyprotein processing]]~~	+
-	~~[[Category: Viral protein]]~~	+
-	~~[[Category: Virual protein~~]]	+

OCA at 09:22, 30 January 2019

OCA — Wed, 30 Jan 2019 09:22:59 GMT

←Older revision		Revision as of 09:22, 30 January 2019
Line 3:		Line 3:
	<StructureSection load='5y4l' size='340' side='right' caption='[[5y4l]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='5y4l' size='340' side='right' caption='[[5y4l]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5y4l]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y4L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y4L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5y4l]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Prrsv Prrsv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y4L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y4L FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5y4l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y4l OCA], [http://pdbe.org/5y4l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y4l RCSB], [http://www.ebi.ac.uk/pdbsum/5y4l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y4l ProSAT]</span></td></tr>	+	</td></tr><tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ORF1a ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=28344 PRRSV])</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5y4l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y4l OCA], [http://pdbe.org/5y4l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y4l RCSB], [http://www.ebi.ac.uk/pdbsum/5y4l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y4l ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Porcine reproductive and respiratory syndrome virus (PRRSV) and porcine epidemic diarrhea virus (PEDV) are highly virulent and contagious porcine pathogens that cause tremendous economic losses to the swine industry worldwide. Currently, there is no effective treatment for PRRSV and PEDV, and commercial vaccines do not induce sterilizing immunity. In this study, we screened a library of 1000 compounds and identified two specific inhibitors, designated compounds 2 and 3, which target the PRRSV 3C-like serine protease (3CLSP). First, we evaluated the inhibitory effects of compounds 2 and 3 on PRRSV 3CLSP activity. Next, we determined the anti-PRRSV capacity of compounds 2 and 3 in MARC-145 cells and obtained EC50 and CC50 values of 57muM (CC50=479.9muM) and 56.8muM (CC50=482.8muM), respectively. Importantly, compounds 2 and 3 also targeted the PEDV 3C-like protease (3CL protease) and inhibited PEDV replication, showing EC50 and CC50 values of 100muM (CC50=533.8muM) and 57.9muM (CC50=522.3muM), respectively. Finally, our results indicated that the active sites (His39 in 3CLSP and His41 in 3CL protease) were conservative, and contacted compounds 2 and 3 via hydrogen bonds and hydrophobic forces in the putative substrate-binding models. In summary, compounds 2 and 3 exhibit broad-spectrum antiviral activity and may facilitate the development of antiviral drugs against PRRSV and PEDV.
		+
		+	Identification of two antiviral inhibitors targeting 3C-like serine/3C-like protease of porcine reproductive and respiratory syndrome virus and porcine epidemic diarrhea virus.,Shi Y, Lei Y, Ye G, Sun L, Fang L, Xiao S, Fu ZF, Yin P, Song Y, Peng G Vet Microbiol. 2018 Jan;213:114-122. doi: 10.1016/j.vetmic.2017.11.031. Epub 2017, Nov 24. PMID:29291994<ref>PMID:29291994</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5y4l" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Prrsv]]
	[[Category: Gang, Y]]		[[Category: Gang, Y]]
	[[Category: Peng, G Q]]		[[Category: Peng, G Q]]

OCA at 06:58, 17 January 2018

OCA — Wed, 17 Jan 2018 06:58:04 GMT

←Older revision		Revision as of 06:58, 17 January 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5y4l ~~is ON HOLD until Paper Publication~~	+	==PRRSV nsp4==
-		+	<StructureSection load='5y4l' size='340' side='right' caption='[[5y4l]], [[Resolution\|resolution]] 2.20Å' scene=''>
-	~~Authors~~: ~~Shi, Y~~.J.~~, Gang, Y~~.~~, Peng, G~~.Q.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5y4l]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y4L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y4L FirstGlance]. <br>
-	~~Description~~: ~~PRRSV nsp4~~	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5y4l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y4l OCA], [http://pdbe.org/5y4l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y4l RCSB], [http://www.ebi.ac.uk/pdbsum/5y4l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y4l ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[~~[Category~~: ~~Shi~~, Y.J]]	+	__TOC__
-	[[~~Category~~: ~~Peng~~, G.Q]]	+	</StructureSection>
	[[Category: Gang, Y]]		[[Category: Gang, Y]]
		+	[[Category: Peng, G Q]]
		+	[[Category: Shi, Y J]]
		+	[[Category: 3c-like serine protease]]
		+	[[Category: Apo-structure]]
		+	[[Category: Polyprotein processing]]
		+	[[Category: Viral protein]]
		+	[[Category: Virual protein]]

OCA at 07:02, 10 January 2018

OCA — Wed, 10 Jan 2018 07:02:35 GMT

←Older revision		Revision as of 07:02, 10 January 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5y4l is ON HOLD	+	The entry 5y4l is ON HOLD until Paper Publication

	Authors: Shi, Y.J., Gang, Y., Peng, G.Q.		Authors: Shi, Y.J., Gang, Y., Peng, G.Q.

OCA: Protected "5y4l" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 16:07:53 GMT

Protected "5y4l" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:07, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5y4l is ON HOLD Authors: Shi, Y.J., Gang, Y., Peng, G.Q. Description: PRRSV nsp4 Category: Unreleased Structures Category: Shi, Y.J [[Categ...

OCA — Wed, 27 Sep 2017 16:07:52 GMT

New page: '''Unreleased structure''' The entry 5y4l is ON HOLD Authors: Shi, Y.J., Gang, Y., Peng, G.Q. Description: PRRSV nsp4 Category: Unreleased Structures Category: Shi, Y.J [[Categ...

New page

'''Unreleased structure'''

The entry 5y4l is ON HOLD

Authors: Shi, Y.J., Gang, Y., Peng, G.Q.

Description: PRRSV nsp4
[[Category: Unreleased Structures]]
[[Category: Shi, Y.J]]
[[Category: Peng, G.Q]]
[[Category: Gang, Y]]