5niu - Revision history

OCA at 13:01, 15 November 2023

OCA — Wed, 15 Nov 2023 13:01:01 GMT

←Older revision		Revision as of 13:01, 15 November 2023
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	<StructureSection load='5niu' size='340' side='right'caption='[[5niu]], [[Resolution\|resolution]] 2.01Å' scene=''>		<StructureSection load='5niu' size='340' side='right'caption='[[5niu]], [[Resolution\|resolution]] 2.01Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5niu]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NIU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5NIU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5niu]] 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=5NIU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5NIU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8YZ:(2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic+acid'>8YZ</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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]] 2.01Å</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5niu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5niu OCA], [~~http~~://pdbe.org/5niu PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5niu RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5niu PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5niu ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8YZ:(2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic+acid'>8YZ</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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=5niu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5niu OCA], [https://pdbe.org/5niu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5niu RCSB], [https://www.ebi.ac.uk/pdbsum/5niu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5niu ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/PD1L1_HUMAN PD1L1_HUMAN]] Involved in the costimulatory signal, essential for T-cell proliferation and production of IL10 and IFNG, in an IL2-dependent and a PDCD1-independent manner. Interaction with PDCD1 inhibits T-cell proliferation and cytokine production.<ref>PMID:10581077</ref> <ref>PMID:11015443</ref>	+	[https://www.uniprot.org/uniprot/PD1L1_HUMAN PD1L1_HUMAN] Involved in the costimulatory signal, essential for T-cell proliferation and production of IL10 and IFNG, in an IL2-dependent and a PDCD1-independent manner. Interaction with PDCD1 inhibits T-cell proliferation and cytokine production.<ref>PMID:10581077</ref> <ref>PMID:11015443</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Dubin, G]]	+	[[Category: Dubin G]]
-	[[Category: Grudnik, P]]	+	[[Category: Grudnik P]]
-	[[Category: Holak~~, T A~~]]	+	[[Category: Holak TA]]
-	[[Category: Skalniak, L]]	+	[[Category: Skalniak L]]
-	[[Category: Zak~~, K M]]~~	+	[[Category: Zak KM]]
-	~~[[Category: Immune checkpoint]]~~	+
-	~~[[Category: Immune system]]~~	+
-	~~[[Category: Pd-1]]~~	+
-	~~[[Category: Pd-l1~~]]	+

OCA at 12:05, 26 August 2020

OCA — Wed, 26 Aug 2020 12:05:51 GMT

←Older revision		Revision as of 12:05, 26 August 2020
Line 1:		Line 1:

	==Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor==		==Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor==
-	<StructureSection load='5niu' size='340' side='right' caption='[[5niu]], [[Resolution\|resolution]] 2.01Å' scene=''>	+	<StructureSection load='5niu' size='340' side='right'caption='[[5niu]], [[Resolution\|resolution]] 2.01Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5niu]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NIU OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5NIU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5niu]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NIU OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5NIU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8YZ:(2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic+acid'>8YZ</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8YZ:(2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic+acid'>8YZ</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></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=5niu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5niu OCA], [http://pdbe.org/5niu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5niu RCSB], [http://www.ebi.ac.uk/pdbsum/5niu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5niu ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5niu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5niu OCA], [http://pdbe.org/5niu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5niu RCSB], [http://www.ebi.ac.uk/pdbsum/5niu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5niu ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Dubin, G]]		[[Category: Dubin, G]]
	[[Category: Grudnik, P]]		[[Category: Grudnik, P]]

OCA at 07:10, 6 December 2017

OCA — Wed, 06 Dec 2017 07:10:48 GMT

←Older revision		Revision as of 07:10, 6 December 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5niu is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor==
		+	<StructureSection load='5niu' size='340' side='right' caption='[[5niu]], [[Resolution\|resolution]] 2.01Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5niu]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NIU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NIU FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8YZ:(2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic+acid'>8YZ</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></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=5niu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5niu OCA], [http://pdbe.org/5niu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5niu RCSB], [http://www.ebi.ac.uk/pdbsum/5niu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5niu ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PD1L1_HUMAN PD1L1_HUMAN]] Involved in the costimulatory signal, essential for T-cell proliferation and production of IL10 and IFNG, in an IL2-dependent and a PDCD1-independent manner. Interaction with PDCD1 inhibits T-cell proliferation and cytokine production.<ref>PMID:10581077</ref> <ref>PMID:11015443</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Antibodies targeting the PD-1/PD-L1 immune checkpoint achieved spectacular success in anticancer therapy in the recent years. In contrast, no small molecules with cellular activity have been reported so far. Here we provide evidence that small molecules are capable of alleviating the PD-1/PD-L1 immune checkpoint-mediated exhaustion of Jurkat T-lymphocytes. The two optimized small-molecule inhibitors of the PD-1/PD-L1 interaction, BMS-1001 and BMS-1166, developed by Bristol-Myers Squibb, bind to human PD-L1 and block its interaction with PD-1, when tested on isolated proteins. The compounds present low toxicity towards tested cell lines and block the interaction of soluble PD-L1 with the cell surface-expressed PD-1. As a result, BMS-1001 and BMS-1166 alleviate the inhibitory effect of the soluble PD-L1 on the T-cell receptor-mediated activation of T-lymphocytes. Moreover, the compounds were effective in attenuating the inhibitory effect of the cell surface-associated PD-L1. We also determined the X-ray structures of the complexes of BMS-1001 and BMS-1166 with PD-L1, which revealed features that may be responsible for increased potency of the compounds compared to their predecessors. Further development may lead to the design of an anticancer therapy based on the orally delivered immune checkpoint inhibition.

-	~~Authors~~:	+	Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells.,Skalniak L, Zak KM, Guzik K, Magiera K, Musielak B, Pachota M, Szelazek B, Kocik J, Grudnik P, Tomala M, Krzanik S, Pyrc K, Domling A, Dubin G, Holak TA Oncotarget. 2017 Aug 7;8(42):72167-72181. doi: 10.18632/oncotarget.20050., eCollection 2017 Sep 22. PMID:29069777<ref>PMID:29069777</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5niu" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Dubin, G]]
		+	[[Category: Grudnik, P]]
		+	[[Category: Holak, T A]]
		+	[[Category: Skalniak, L]]
		+	[[Category: Zak, K M]]
		+	[[Category: Immune checkpoint]]
		+	[[Category: Immune system]]
		+	[[Category: Pd-1]]
		+	[[Category: Pd-l1]]

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

OCA — Wed, 05 Apr 2017 10:11:53 GMT

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

←Older revision

Revision as of 10:11, 5 April 2017

OCA: New page: '''Unreleased structure''' The entry 5niu is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Wed, 05 Apr 2017 10:11:51 GMT

New page: '''Unreleased structure''' The entry 5niu is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5niu is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]