5mts - Revision history

OCA at 17:49, 8 November 2023

OCA — Wed, 08 Nov 2023 17:49:38 GMT

←Older revision		Revision as of 17:49, 8 November 2023
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	<StructureSection load='5mts' size='340' side='right'caption='[[5mts]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='5mts' size='340' side='right'caption='[[5mts]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5mts]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Ecoli Ecoli~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MTS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5MTS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5mts]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MTS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5MTS FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=XKA:[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]AMINO]-1,3-THIAZOL-5-YL]-(4-METHYL-2-PYRAZIN-2-YL-1,3-THIAZOL-5-YL)METHANONE'>XKA</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]] 2.6Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">fimH, b4320, JW4283 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=XKA:[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]AMINO]-1,3-THIAZOL-5-YL]-(4-METHYL-2-PYRAZIN-2-YL-1,3-THIAZOL-5-YL)METHANONE'>XKA</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=5mts FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mts OCA], [~~http~~://pdbe.org/5mts PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5mts RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5mts PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5mts 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=5mts FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mts OCA], [https://pdbe.org/5mts PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5mts RCSB], [https://www.ebi.ac.uk/pdbsum/5mts PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5mts ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/FIMH_ECOLI FIMH_ECOLI]] Involved in regulation of length and mediation of adhesion of type 1 fimbriae (but not necessary for the production of fimbriae). Adhesin responsible for the binding to D-mannose. It is laterally positioned at intervals in the structure of the type 1 fimbriae. In order to integrate FimH in the fimbriae FimF and FimG are needed.	+	[https://www.uniprot.org/uniprot/FIMH_ECOLI FIMH_ECOLI] Involved in regulation of length and mediation of adhesion of type 1 fimbriae (but not necessary for the production of fimbriae). Adhesin responsible for the binding to D-mannose. It is laterally positioned at intervals in the structure of the type 1 fimbriae. In order to integrate FimH in the fimbriae FimF and FimG are needed.
	<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: ~~Ecoli~~]]	+	[[Category: Escherichia coli K-12]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bouckaert, J]]	+	[[Category: Bouckaert J]]
-	[[Category: Ruyck, J ~~de]]~~	+	[[Category: De Ruyck J]]
-	~~[[Category: Bacterial adhesin]]~~	+
-	~~[[Category: Cell adhesion]]~~	+
-	~~[[Category: Crohn's disease]]~~	+
-	~~[[Category: Type 1 fimbriae]]~~	+
-	~~[[Category: Urinary tract infection~~]]	+

OCA at 06:38, 16 October 2019

OCA — Wed, 16 Oct 2019 06:38:44 GMT

←Older revision		Revision as of 06:38, 16 October 2019
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	==Complex of FimH lectin with a TazMan (thiazolylaminomannosides) family member known as potent anti-adhesive agent at 2.6 A resolution==		==Complex of FimH lectin with a TazMan (thiazolylaminomannosides) family member known as potent anti-adhesive agent at 2.6 A resolution==
-	<StructureSection load='5mts' size='340' side='right' caption='[[5mts]], [[Resolution\|resolution]] 2.60Å' scene=''>	+	<StructureSection load='5mts' size='340' side='right'caption='[[5mts]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5mts]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MTS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MTS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5mts]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecoli Ecoli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MTS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MTS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=XKA:[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]AMINO]-1,3-THIAZOL-5-YL]-(4-METHYL-2-PYRAZIN-2-YL-1,3-THIAZOL-5-YL)METHANONE'>XKA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=XKA:[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]AMINO]-1,3-THIAZOL-5-YL]-(4-METHYL-2-PYRAZIN-2-YL-1,3-THIAZOL-5-YL)METHANONE'>XKA</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">fimH, b4320, JW4283 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</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=5mts FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mts OCA], [http://pdbe.org/5mts PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mts RCSB], [http://www.ebi.ac.uk/pdbsum/5mts PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mts 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=5mts FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mts OCA], [http://pdbe.org/5mts PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mts RCSB], [http://www.ebi.ac.uk/pdbsum/5mts PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mts ProSAT]</span></td></tr>
	</table>		</table>
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5mts" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5mts" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Adhesin 3D structures\|Adhesin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Ecoli]]
		+	[[Category: Large Structures]]
	[[Category: Bouckaert, J]]		[[Category: Bouckaert, J]]
	[[Category: Ruyck, J de]]		[[Category: Ruyck, J de]]

OCA at 21:05, 15 March 2017

OCA — Wed, 15 Mar 2017 21:05:58 GMT

←Older revision		Revision as of 21:05, 15 March 2017
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-	'''Unreleased structure'''

-	~~The entry~~ 5mts is ~~ON HOLD~~	+	==Complex of FimH lectin with a TazMan (thiazolylaminomannosides) family member known as potent anti-adhesive agent at 2.6 A resolution==
		+	<StructureSection load='5mts' size='340' side='right' caption='[[5mts]], [[Resolution\|resolution]] 2.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5mts]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MTS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MTS FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=XKA:[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]AMINO]-1,3-THIAZOL-5-YL]-(4-METHYL-2-PYRAZIN-2-YL-1,3-THIAZOL-5-YL)METHANONE'>XKA</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=5mts FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mts OCA], [http://pdbe.org/5mts PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mts RCSB], [http://www.ebi.ac.uk/pdbsum/5mts PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mts ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/FIMH_ECOLI FIMH_ECOLI]] Involved in regulation of length and mediation of adhesion of type 1 fimbriae (but not necessary for the production of fimbriae). Adhesin responsible for the binding to D-mannose. It is laterally positioned at intervals in the structure of the type 1 fimbriae. In order to integrate FimH in the fimbriae FimF and FimG are needed.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Thiazolylaminomannosides (TazMan) are FimH antagonists with anti-adhesive potential against adherent-invasive Escherichia coli (AIEC) promoting gut inflammation in patients with Crohn's disease (CD). The lead TazMan is highly potent in vitro but shows limited in vivo efficiency probably due to low pH stability and water solubility. We recently developed a second generation of stable TazMan but the anti-adhesive effect was decreased compared to the first. Here, we report the co-crystal structure of the lead TazMan in FimH, revealing that the anomeric NH and the second thiazole moiety provide a positive H-bonding interaction with a trapped water molecule, and pi-stacking with Tyrosine 48 of FimH, respectively. Consequently, we have developed NeoTazMan homologated with a methylene group for low pH and mannosidase stability with a conserved NH group and bearing various heterocyclic aglycons. Microencapsulation of the lead NeoTazMan in a gamma-cyclodextrin dramatically improved the water solubility without disrupting the FimH affinity or the anti-adhesive effect against AIEC isolated from patients with CD.

-	~~Authors: de Ruyck~~, J., ~~Bouckaert~~, J.	+	Physiochemical tuning of potent E. coli antiadhesives by microencapsulation and methylene homologation.,Alvarez Dorta D, Chalopin T, Sivignon A, De Ruyck J, Dumych T, Bilyy R, Deniaud D, Barnich N, Bouckaert J, Gouin SG ChemMedChem. 2017 Mar 3. doi: 10.1002/cmdc.201700061. PMID:28257558<ref>PMID:28257558</ref>

-	~~Description: Complex of FimH lectin with~~ a ~~TazMan (thiazolylaminomannosides) family member known as potent anti-adhesive agent at 2~~.~~6 A resolution~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 5mts" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Bouckaert, J]]		[[Category: Bouckaert, J]]
-	[[Category: De Ruyck, J]]	+	[[Category: Ruyck, J de]]
		+	[[Category: Bacterial adhesin]]
		+	[[Category: Cell adhesion]]
		+	[[Category: Crohn's disease]]
		+	[[Category: Type 1 fimbriae]]
		+	[[Category: Urinary tract infection]]

OCA at 15:12, 1 February 2017

OCA — Wed, 01 Feb 2017 15:12:46 GMT

←Older revision		Revision as of 15:12, 1 February 2017
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5mts is ON HOLD ~~until Paper Publication~~	+	The entry 5mts is ON HOLD

	Authors: de Ruyck, J., Bouckaert, J.		Authors: de Ruyck, J., Bouckaert, J.

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

OCA — Wed, 18 Jan 2017 13:16:00 GMT

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

←Older revision

Revision as of 13:16, 18 January 2017

OCA: New page: '''Unreleased structure''' The entry 5mts is ON HOLD until Paper Publication Authors: de Ruyck, J., Bouckaert, J. Description: Complex of FimH lectin with a TazMan (thiazolylaminomanno...

OCA — Wed, 18 Jan 2017 13:15:59 GMT

New page: '''Unreleased structure''' The entry 5mts is ON HOLD until Paper Publication Authors: de Ruyck, J., Bouckaert, J. Description: Complex of FimH lectin with a TazMan (thiazolylaminomanno...

New page

'''Unreleased structure'''

The entry 5mts is ON HOLD until Paper Publication

Authors: de Ruyck, J., Bouckaert, J.

Description: Complex of FimH lectin with a TazMan (thiazolylaminomannosides) family member known as potent anti-adhesive agent at 2.6 A resolution
[[Category: Unreleased Structures]]
[[Category: Bouckaert, J]]
[[Category: De Ruyck, J]]