2mus - Revision history

OCA at 07:02, 1 May 2024

OCA — Wed, 01 May 2024 07:02:23 GMT

←Older revision		Revision as of 07:02, 1 May 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Podospora_anserina Podospora anserina]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2MUS FirstGlance]. <br>		<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Podospora_anserina Podospora anserina]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2MUS FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [https://pdbe.org/2mus PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [https://www.ebi.ac.uk/pdbsum/2mus PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus 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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [https://pdbe.org/2mus PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [https://www.ebi.ac.uk/pdbsum/2mus PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/HETS_PODAS HETS_PODAS] Responsible for heterokaryon incompatibility, a process that ensures that during spontaneous, vegetative cell fusion only compatible cells from the same colony survive (non-self-recognition). Forms a prion for the non-Mendelian trait [het-s]. Interacts with het-S from incompatible cells to trigger a lethal reaction that prevents the formation of viable heterokaryons. It is unknown if the native, soluble protein has a cellular function.<ref>PMID:1886611</ref> <ref>PMID:8224826</ref> <ref>PMID:9275200</ref>		[https://www.uniprot.org/uniprot/HETS_PODAS HETS_PODAS] Responsible for heterokaryon incompatibility, a process that ensures that during spontaneous, vegetative cell fusion only compatible cells from the same colony survive (non-self-recognition). Forms a prion for the non-Mendelian trait [het-s]. Interacts with het-S from incompatible cells to trigger a lethal reaction that prevents the formation of viable heterokaryons. It is unknown if the native, soluble protein has a cellular function.<ref>PMID:1886611</ref> <ref>PMID:8224826</ref> <ref>PMID:9275200</ref>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Prions cause transmissible spongiform encephalopathies for which no treatment exists. Prions consist of PrP(Sc), a misfolded and aggregated form of the cellular prion protein (PrP(C)). We explore the antiprion properties of luminescent conjugated polythiophenes (LCPs) that bind and stabilize ordered protein aggregates. By administering a library of structurally diverse LCPs to the brains of prion-infected mice via osmotic minipumps, we found that antiprion activity required a minimum of five thiophene rings bearing regularly spaced carboxyl side groups. Solid-state nuclear magnetic resonance analyses and molecular dynamics simulations revealed that anionic side chains interacted with complementary, regularly spaced cationic amyloid residues of model prions. These findings allowed us to extract structural rules governing the interaction between LCPs and protein aggregates, which we then used to design a new set of LCPs with optimized binding. The new set of LCPs showed robust prophylactic and therapeutic potency in prion-infected mice, with the lead compound extending survival by >80% and showing activity against both mouse and hamster prions as well as efficacy upon intraperitoneal administration into mice. These results demonstrate the feasibility of targeted chemical design of compounds that may be useful for treating diseases of aberrant protein aggregation such as prion disease.
-
-	Structure-based drug design identifies polythiophenes as antiprion compounds.,Herrmann US, Schutz AK, Shirani H, Huang D, Saban D, Nuvolone M, Li B, Ballmer B, Aslund AK, Mason JJ, Rushing E, Budka H, Nystrom S, Hammarstrom P, Bockmann A, Caflisch A, Meier BH, Nilsson KP, Hornemann S, Aguzzi A Sci Transl Med. 2015 Aug 5;7(299):299ra123. doi: 10.1126/scitranslmed.aab1923. PMID:26246168<ref>PMID:26246168</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 2mus" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:07, 8 March 2023

OCA — Wed, 08 Mar 2023 08:07:28 GMT

←Older revision		Revision as of 08:07, 8 March 2023
Line 1:		Line 1:

	==HADDOCK calculated model of LIN5001 bound to the HET-s amyloid==		==HADDOCK calculated model of LIN5001 bound to the HET-s amyloid==
-	<StructureSection load='2mus' size='340' side='right'caption='[[2mus~~]], [[NMR_Ensembles_of_Models \| 4 NMR models~~]]' scene=''>	+	<StructureSection load='2mus' size='340' side='right'caption='[[2mus]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Podas Podas~~]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2MUS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Podospora_anserina Podospora anserina]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2MUS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2lbu\|2lbu]], [[2rnm\|2rnm]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">het-s, small s ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5145 PODAS])</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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [https://pdbe.org/2mus PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [https://www.ebi.ac.uk/pdbsum/2mus PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus 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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [https://pdbe.org/2mus PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [https://www.ebi.ac.uk/pdbsum/2mus PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/HETS_PODAS HETS_PODAS]] Responsible for heterokaryon incompatibility, a process that ensures that during spontaneous, vegetative cell fusion only compatible cells from the same colony survive (non-self-recognition). Forms a prion for the non-Mendelian trait [het-s]. Interacts with het-S from incompatible cells to trigger a lethal reaction that prevents the formation of viable heterokaryons. It is unknown if the native, soluble protein has a cellular function.<ref>PMID:1886611</ref> <ref>PMID:8224826</ref> <ref>PMID:9275200</ref>	+	[https://www.uniprot.org/uniprot/HETS_PODAS HETS_PODAS] Responsible for heterokaryon incompatibility, a process that ensures that during spontaneous, vegetative cell fusion only compatible cells from the same colony survive (non-self-recognition). Forms a prion for the non-Mendelian trait [het-s]. Interacts with het-S from incompatible cells to trigger a lethal reaction that prevents the formation of viable heterokaryons. It is unknown if the native, soluble protein has a cellular function.<ref>PMID:1886611</ref> <ref>PMID:8224826</ref> <ref>PMID:9275200</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 23:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Podas~~]]	+	[[Category: Podospora anserina]]
-	[[Category: Aguzzi, A]]	+	[[Category: Aguzzi A]]
-	[[Category: Aslund~~, A K.O~~]]	+	[[Category: Aslund AKO]]
-	[[Category: Ballmer, B]]	+	[[Category: Ballmer B]]
-	[[Category: Bockmann, A]]	+	[[Category: Bockmann A]]
-	[[Category: Budka, H]]	+	[[Category: Budka H]]
-	[[Category: Caflisch, A]]	+	[[Category: Caflisch A]]
-	[[Category: Hammarstrom, P]]	+	[[Category: Hammarstrom P]]
-	[[Category: Hermann~~, U S~~]]	+	[[Category: Hermann US]]
-	[[Category: Hornemann, S]]	+	[[Category: Hornemann S]]
-	[[Category: Huang~~, D H~~]]	+	[[Category: Huang DH]]
-	[[Category: Li, B]]	+	[[Category: Li B]]
-	[[Category: Mason~~, J J~~]]	+	[[Category: Mason JJ]]
-	[[Category: Meier~~, B H~~]]	+	[[Category: Meier BH]]
-	[[Category: Nilsson~~, P K.R~~]]	+	[[Category: Nilsson PKR]]
-	[[Category: Nuvolone, M]]	+	[[Category: Nuvolone M]]
-	[[Category: Rushing, E]]	+	[[Category: Rushing E]]
-	[[Category: Saban, D]]	+	[[Category: Saban D]]
-	[[Category: Schuetz~~, A K~~]]	+	[[Category: Schuetz AK]]
-	[[Category: Shirani, H]]	+	[[Category: Shirani H]]
-	~~[[Category: Amyloid fibril]]~~	+
-	~~[[Category: Beta-solenoid]]~~	+
-	~~[[Category: Luminescent conjugated polythiophene]]~~	+
-	~~[[Category: Parallel beta-sheet]]~~	+
-	~~[[Category: Prion]]~~	+
-	~~[[Category: Protein fibril~~]]	+

OCA at 15:21, 2 June 2021

OCA — Wed, 02 Jun 2021 15:21:20 GMT

←Older revision		Revision as of 15:21, 2 June 2021
Line 1:		Line 1:

	==HADDOCK calculated model of LIN5001 bound to the HET-s amyloid==		==HADDOCK calculated model of LIN5001 bound to the HET-s amyloid==
-	<StructureSection load='2mus' size='340' side='right' caption='[[2mus]], [[NMR_Ensembles_of_Models \| 4 NMR models]]' scene=''>	+	<StructureSection load='2mus' size='340' side='right'caption='[[2mus]], [[NMR_Ensembles_of_Models \| 4 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Podas Podas]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2MUS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Podas Podas]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2MUS FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2lbu\|2lbu]], [[2rnm\|2rnm]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2lbu\|2lbu]], [[2rnm\|2rnm]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">het-s, small s ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5145 PODAS])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">het-s, small s ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5145 PODAS])</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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [~~http~~://pdbe.org/2mus PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2mus PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus 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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [https://pdbe.org/2mus PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [https://www.ebi.ac.uk/pdbsum/2mus PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/HETS_PODAS HETS_PODAS]] Responsible for heterokaryon incompatibility, a process that ensures that during spontaneous, vegetative cell fusion only compatible cells from the same colony survive (non-self-recognition). Forms a prion for the non-Mendelian trait [het-s]. Interacts with het-S from incompatible cells to trigger a lethal reaction that prevents the formation of viable heterokaryons. It is unknown if the native, soluble protein has a cellular function.<ref>PMID:1886611</ref> <ref>PMID:8224826</ref> <ref>PMID:9275200</ref>	+	[[https://www.uniprot.org/uniprot/HETS_PODAS HETS_PODAS]] Responsible for heterokaryon incompatibility, a process that ensures that during spontaneous, vegetative cell fusion only compatible cells from the same colony survive (non-self-recognition). Forms a prion for the non-Mendelian trait [het-s]. Interacts with het-S from incompatible cells to trigger a lethal reaction that prevents the formation of viable heterokaryons. It is unknown if the native, soluble protein has a cellular function.<ref>PMID:1886611</ref> <ref>PMID:8224826</ref> <ref>PMID:9275200</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Podas]]		[[Category: Podas]]
	[[Category: Aguzzi, A]]		[[Category: Aguzzi, A]]

OCA at 07:52, 14 June 2018

OCA — Thu, 14 Jun 2018 07:52:27 GMT

←Older revision		Revision as of 07:52, 14 June 2018
Line 3:		Line 3:
	<StructureSection load='2mus' size='340' side='right' caption='[[2mus]], [[NMR_Ensembles_of_Models \| 4 NMR models]]' scene=''>		<StructureSection load='2mus' size='340' side='right' caption='[[2mus]], [[NMR_Ensembles_of_Models \| 4 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2MUS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure with sequence from [http://en.wikipedia.org/wiki/Podas Podas]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2MUS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2lbu\|2lbu]], [[2rnm\|2rnm]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2lbu\|2lbu]], [[2rnm\|2rnm]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">het-s, small s ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5145 PODAS])</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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [http://pdbe.org/2mus PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [http://www.ebi.ac.uk/pdbsum/2mus PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus ProSAT]</span></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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [http://pdbe.org/2mus PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [http://www.ebi.ac.uk/pdbsum/2mus PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus ProSAT]</span></td></tr>
	</table>		</table>
Line 23:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Podas]]
	[[Category: Aguzzi, A]]		[[Category: Aguzzi, A]]
	[[Category: Aslund, A K.O]]		[[Category: Aslund, A K.O]]

OCA at 17:59, 1 February 2017

OCA — Wed, 01 Feb 2017 17:59:35 GMT

←Older revision		Revision as of 17:59, 1 February 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 2mus is ~~ON HOLD~~	+	==HADDOCK calculated model of LIN5001 bound to the HET-s amyloid==
		+	<StructureSection load='2mus' size='340' side='right' caption='[[2mus]], [[NMR_Ensembles_of_Models \| 4 NMR models]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2mus]] is a 5 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MUS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2MUS FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3LS:3,4-BIS(CARBOXYMETHYL)-2,2 5,2 5,2 5,2-QUINQUETHIOPHENE-5,5-DICARBOXYLIC+ACID'>3LS</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2lbu\|2lbu]], [[2rnm\|2rnm]]</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=2mus FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mus OCA], [http://pdbe.org/2mus PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2mus RCSB], [http://www.ebi.ac.uk/pdbsum/2mus PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2mus ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/HETS_PODAS HETS_PODAS]] Responsible for heterokaryon incompatibility, a process that ensures that during spontaneous, vegetative cell fusion only compatible cells from the same colony survive (non-self-recognition). Forms a prion for the non-Mendelian trait [het-s]. Interacts with het-S from incompatible cells to trigger a lethal reaction that prevents the formation of viable heterokaryons. It is unknown if the native, soluble protein has a cellular function.<ref>PMID:1886611</ref> <ref>PMID:8224826</ref> <ref>PMID:9275200</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Prions cause transmissible spongiform encephalopathies for which no treatment exists. Prions consist of PrP(Sc), a misfolded and aggregated form of the cellular prion protein (PrP(C)). We explore the antiprion properties of luminescent conjugated polythiophenes (LCPs) that bind and stabilize ordered protein aggregates. By administering a library of structurally diverse LCPs to the brains of prion-infected mice via osmotic minipumps, we found that antiprion activity required a minimum of five thiophene rings bearing regularly spaced carboxyl side groups. Solid-state nuclear magnetic resonance analyses and molecular dynamics simulations revealed that anionic side chains interacted with complementary, regularly spaced cationic amyloid residues of model prions. These findings allowed us to extract structural rules governing the interaction between LCPs and protein aggregates, which we then used to design a new set of LCPs with optimized binding. The new set of LCPs showed robust prophylactic and therapeutic potency in prion-infected mice, with the lead compound extending survival by >80% and showing activity against both mouse and hamster prions as well as efficacy upon intraperitoneal administration into mice. These results demonstrate the feasibility of targeted chemical design of compounds that may be useful for treating diseases of aberrant protein aggregation such as prion disease.

-	~~Authors: Hermann, U.S~~., ~~Schuetz~~, ~~A.K.~~, Shirani, H., Saban, D., Nuvolone, M~~., Huang, D.H.~~, Li, B., Ballmer, B., Aslund~~, A.K.O.~~, Mason~~, J.J.~~, Rushing, E., Budka, H., Hammarstrom, P., Bockmann, A., Caflisch, A., Meier~~, B.H.~~, Nilsson~~, P.K.R.~~, Hornemann, S., Aguzzi, A.	+	Structure-based drug design identifies polythiophenes as antiprion compounds.,Herrmann US, Schutz AK, Shirani H, Huang D, Saban D, Nuvolone M, Li B, Ballmer B, Aslund AK, Mason JJ, Rushing E, Budka H, Nystrom S, Hammarstrom P, Bockmann A, Caflisch A, Meier BH, Nilsson KP, Hornemann S, Aguzzi A Sci Transl Med. 2015 Aug 5;7(299):299ra123. doi: 10.1126/scitranslmed.aab1923. PMID:26246168<ref>PMID:26246168</ref>

-	~~Description: HADDOCK calculated model~~ of ~~LIN5001 bound to~~ the ~~HET-s amyloid~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category~~: ~~Rushing, E]]~~	+	<div class="pdbe-citations 2mus" style="background-color:#fffaf0;"></div>
-	~~[[Category: Shirani, H]]~~	+	== References ==
-	~~[[Category: Hammarstrom, P]]~~	+	<references/>
-	~~[[Category: Budka, H]]~~	+	__TOC__
-	~~[[Category: Hornemann, S]]~~	+	</StructureSection>
-	[[Category: ~~Nilsson~~, ~~P.K.R~~]]	+	[[Category: Aguzzi, A]]
-	[[Category: Aslund, A.K.O]]	+	[[Category: Aslund, A K.O]]
-	~~[[Category: Mason, J.J]]~~	+
-	~~[[Category: Huang, D.H]]~~	+
-	~~[[Category: Saban, D~~]]	+
	[[Category: Ballmer, B]]		[[Category: Ballmer, B]]
-	[[Category: Caflisch, A]]
	[[Category: Bockmann, A]]		[[Category: Bockmann, A]]
-	[[Category: ~~Aguzzi~~, A]]	+	[[Category: Budka, H]]
-	[[Category: ~~Hermann~~, ~~U.S~~]]	+	[[Category: Caflisch, A]]
-	[[Category: ~~Meier~~, ~~B.H~~]]	+	[[Category: Hammarstrom, P]]
-	[[Category: ~~Nuvolone~~, M]]	+	[[Category: Hermann, U S]]
-	[[Category: ~~Schuetz~~, ~~A.K~~]]	+	[[Category: Hornemann, S]]
		+	[[Category: Huang, D H]]
	[[Category: Li, B]]		[[Category: Li, B]]
		+	[[Category: Mason, J J]]
		+	[[Category: Meier, B H]]
		+	[[Category: Nilsson, P K.R]]
		+	[[Category: Nuvolone, M]]
		+	[[Category: Rushing, E]]
		+	[[Category: Saban, D]]
		+	[[Category: Schuetz, A K]]
		+	[[Category: Shirani, H]]
		+	[[Category: Amyloid fibril]]
		+	[[Category: Beta-solenoid]]
		+	[[Category: Luminescent conjugated polythiophene]]
		+	[[Category: Parallel beta-sheet]]
		+	[[Category: Prion]]
		+	[[Category: Protein fibril]]

OCA at 13:58, 5 August 2015

OCA — Wed, 05 Aug 2015 13:58:21 GMT

←Older revision		Revision as of 13:58, 5 August 2015
Line 16:		Line 16:
	[[Category: Mason, J.J]]		[[Category: Mason, J.J]]
	[[Category: Huang, D.H]]		[[Category: Huang, D.H]]
-	[[Category: Caflisch, A]]
-	[[Category: Ballmer, B]]
	[[Category: Saban, D]]		[[Category: Saban, D]]
		+	[[Category: Ballmer, B]]
		+	[[Category: Caflisch, A]]
	[[Category: Bockmann, A]]		[[Category: Bockmann, A]]
	[[Category: Aguzzi, A]]		[[Category: Aguzzi, A]]
-	[[Category: Meier, B.H]]
	[[Category: Hermann, U.S]]		[[Category: Hermann, U.S]]
		+	[[Category: Meier, B.H]]
	[[Category: Nuvolone, M]]		[[Category: Nuvolone, M]]
	[[Category: Schuetz, A.K]]		[[Category: Schuetz, A.K]]
	[[Category: Li, B]]		[[Category: Li, B]]

OCA at 12:26, 24 December 2014

OCA — Wed, 24 Dec 2014 12:26:47 GMT

←Older revision		Revision as of 12:26, 24 December 2014
Line 6:		Line 6:

	Description: HADDOCK calculated model of LIN5001 bound to the HET-s amyloid		Description: HADDOCK calculated model of LIN5001 bound to the HET-s amyloid
		+	[[Category: Unreleased Structures]]
		+	[[Category: Rushing, E]]
		+	[[Category: Shirani, H]]
		+	[[Category: Hammarstrom, P]]
		+	[[Category: Budka, H]]
		+	[[Category: Hornemann, S]]
		+	[[Category: Nilsson, P.K.R]]
		+	[[Category: Aslund, A.K.O]]
		+	[[Category: Mason, J.J]]
		+	[[Category: Huang, D.H]]
		+	[[Category: Caflisch, A]]
		+	[[Category: Ballmer, B]]
		+	[[Category: Saban, D]]
		+	[[Category: Bockmann, A]]
		+	[[Category: Aguzzi, A]]
		+	[[Category: Meier, B.H]]
		+	[[Category: Hermann, U.S]]
		+	[[Category: Nuvolone, M]]
		+	[[Category: Schuetz, A.K]]
		+	[[Category: Li, B]]

OCA: Protected "2mus" [edit=sysop:move=sysop]

OCA — Wed, 24 Sep 2014 07:29:50 GMT

Protected "2mus" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:29, 24 September 2014

OCA: New page: '''Unreleased structure''' The entry 2mus is ON HOLD Authors: Hermann, U.S., Schuetz, A.K., Shirani, H., Saban, D., Nuvolone, M., Huang, D.H., Li, B., Ballmer, B., Aslund, A.K.O., Mason...

OCA — Wed, 24 Sep 2014 07:29:48 GMT

New page: '''Unreleased structure''' The entry 2mus is ON HOLD Authors: Hermann, U.S., Schuetz, A.K., Shirani, H., Saban, D., Nuvolone, M., Huang, D.H., Li, B., Ballmer, B., Aslund, A.K.O., Mason...

New page

'''Unreleased structure'''

The entry 2mus is ON HOLD

Authors: Hermann, U.S., Schuetz, A.K., Shirani, H., Saban, D., Nuvolone, M., Huang, D.H., Li, B., Ballmer, B., Aslund, A.K.O., Mason, J.J., Rushing, E., Budka, H., Hammarstrom, P., Bockmann, A., Caflisch, A., Meier, B.H., Nilsson, P.K.R., Hornemann, S., Aguzzi, A.

Description: HADDOCK calculated model of LIN5001 bound to the HET-s amyloid