8god - Revision history

OCA at 18:13, 29 November 2023

OCA — Wed, 29 Nov 2023 18:13:05 GMT

←Older revision		Revision as of 18:13, 29 November 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8god]] is a 1 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=8GOD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8GOD FirstGlance]. <br>		<table><tr><td colspan='2'>[[8god]] is a 1 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=8GOD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8GOD FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K3X:[(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone'>K3X</scene></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]] 2.88Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K3X:[(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone'>K3X</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=8god FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8god OCA], [https://pdbe.org/8god PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8god RCSB], [https://www.ebi.ac.uk/pdbsum/8god PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8god 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=8god FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8god OCA], [https://pdbe.org/8god PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8god RCSB], [https://www.ebi.ac.uk/pdbsum/8god PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8god ProSAT]</span></td></tr>
	</table>		</table>

OCA at 06:54, 29 March 2023

OCA — Wed, 29 Mar 2023 06:54:30 GMT

←Older revision		Revision as of 06:54, 29 March 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8god is ~~ON HOLD until Paper~~ Publication	+	==Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589==
		+	<StructureSection load='8god' size='340' side='right'caption='[[8god]], [[Resolution\|resolution]] 2.88Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8god]] is a 1 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=8GOD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8GOD FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K3X:[(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone'>K3X</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=8god FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8god OCA], [https://pdbe.org/8god PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8god RCSB], [https://www.ebi.ac.uk/pdbsum/8god PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8god ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Protein arginine deiminases (PAD) 4 is an enzyme that catalyzes citrullination of protein and its role in autoimmune diseases has been established through clinical genetics and gene knock out studies in mice. Further, studies with PAD4 - deficient mice have shown that PAD4 deficiency does not lead to increased infection or immune suppression, which makes PAD4 an attractive therapeutic target for auto-immune and inflammatory diseases. PAD4 has critical enzymatic role of promoting chromatin decondensation and neutrophil extracellular traps (NETs) formation that is associated with a number of immune-mediated pathological conditions. Here, we present a non-covalent PAD4 inhibitor JBI-589 with high PAD4 isoform selectivity and delineated its binding mode at 2.88 A resolution by X-ray crystallography. We confirmed its effectiveness in inhibiting NET formation in vitro. Additionally, by using two mouse arthritis models for human rheumatoid arthritis (RA), the well-known disease associated with PAD4 clinically, we established its efficacy in vivo. These results suggest that JBI-589 would be beneficial for both PAD4 and NET-associated pathological conditions.

-	~~Authors: Swaminathan, S~~., ~~Birudukota~~, S., ~~Vaithilingam~~, ~~K., Kandan~~, S., ~~Asaithambi~~, K., ~~Kathiresan~~, N., ~~Gosu~~, R., ~~Rajagopal~~, S., ~~Sadhu~~, N.	+	Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.,Gajendran C, Fukui S, Sadhu NM, Zainuddin M, Rajagopal S, Gosu R, Gutch S, Fukui S, Sheehy CE, Chu L, Vishwakarma S, Jeyaraj DA, Hallur G, Wagner DD, Sivanandhan D Sci Rep. 2023 Feb 23;13(1):3189. doi: 10.1038/s41598-023-30246-2. PMID:36823444<ref>PMID:36823444</ref>

-	~~Description: Co-crystal structure~~ of ~~Human Protein~~-~~arginine deiminase type~~-~~4 (PAD4) with small molecule inhibitor JBI-589~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Swaminathan, S~~]]	+	<div class="pdbe-citations 8god" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Kandan, S~~]]	+	== References ==
-	[[Category: Birudukota, S]]	+	<references/>
-	[[Category: Gosu, R]]	+	__TOC__
-	[[Category: ~~Rajagopal,~~ S]]	+	</StructureSection>
-	[[Category: ~~Asaithambi, K~~]]	+	[[Category: Homo sapiens]]
-	[[Category: ~~Kathiresan, N~~]]	+	[[Category: Large Structures]]
-	[[Category: Sadhu, N]]	+	[[Category: Asaithambi K]]
-	[[Category: Vaithilingam, K]]	+	[[Category: Birudukota S]]
		+	[[Category: Gosu R]]
		+	[[Category: Kandan S]]
		+	[[Category: Kathiresan N]]
		+	[[Category: Rajagopal S]]
		+	[[Category: Sadhu N]]
		+	[[Category: Swaminathan S]]
		+	[[Category: Vaithilingam K]]

OCA at 05:53, 14 September 2022

OCA — Wed, 14 Sep 2022 05:53:13 GMT

←Older revision		Revision as of 05:53, 14 September 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8god is ON HOLD	+	The entry 8god is ON HOLD until Paper Publication

	Authors: Swaminathan, S., Birudukota, S., Vaithilingam, K., Kandan, S., Asaithambi, K., Kathiresan, N., Gosu, R., Rajagopal, S., Sadhu, N.		Authors: Swaminathan, S., Birudukota, S., Vaithilingam, K., Kandan, S., Asaithambi, K., Kathiresan, N., Gosu, R., Rajagopal, S., Sadhu, N.

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

OCA — Wed, 31 Aug 2022 05:42:55 GMT

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

←Older revision

Revision as of 05:42, 31 August 2022

OCA: New page: '''Unreleased structure''' The entry 8god is ON HOLD Authors: Swaminathan, S., Birudukota, S., Vaithilingam, K., Kandan, S., Asaithambi, K., Kathiresan, N., Gosu, R., Rajagopal, S., Sad...

OCA — Wed, 31 Aug 2022 05:42:54 GMT

New page: '''Unreleased structure''' The entry 8god is ON HOLD Authors: Swaminathan, S., Birudukota, S., Vaithilingam, K., Kandan, S., Asaithambi, K., Kathiresan, N., Gosu, R., Rajagopal, S., Sad...

New page

'''Unreleased structure'''

The entry 8god is ON HOLD

Authors: Swaminathan, S., Birudukota, S., Vaithilingam, K., Kandan, S., Asaithambi, K., Kathiresan, N., Gosu, R., Rajagopal, S., Sadhu, N.

Description: Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589
[[Category: Unreleased Structures]]
[[Category: Swaminathan, S]]
[[Category: Kandan, S]]
[[Category: Birudukota, S]]
[[Category: Gosu, R]]
[[Category: Rajagopal, S]]
[[Category: Asaithambi, K]]
[[Category: Kathiresan, N]]
[[Category: Sadhu, N]]
[[Category: Vaithilingam, K]]