5nov - Revision history

OCA at 13:17, 15 November 2023

OCA — Wed, 15 Nov 2023 13:17:23 GMT

←Older revision		Revision as of 13:17, 15 November 2023
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	<StructureSection load='5nov' size='340' side='right'caption='[[5nov]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='5nov' size='340' side='right'caption='[[5nov]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5nov]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NOV OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5NOV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5nov]] 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=5NOV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5NOV FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=93B:1~~,~~3-diazinane-~~2~~-thione'>93B</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]] 2Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks'>[http~~:~~//en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase]~~, ~~with EC number [http://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=5.~~2~~.1.8 5.2.1.8]~~ </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=93B:1,3-diazinane-2-thione'>93B</scene></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=5nov FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nov OCA], [~~http~~://pdbe.org/5nov PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5nov RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5nov PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5nov 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=5nov FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nov OCA], [https://pdbe.org/5nov PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5nov RCSB], [https://www.ebi.ac.uk/pdbsum/5nov PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5nov ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/PPIA_HUMAN PPIA_HUMAN]] PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.	+	[https://www.uniprot.org/uniprot/PPIA_HUMAN PPIA_HUMAN] PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.
	<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: Peptidylprolyl isomerase]]~~	+	[[Category: Georgiou C]]
-	[[Category: Georgiou, C]]	+	[[Category: Ioannidis H]]
-	[[Category: Ioannidis, H]]	+	[[Category: Julien M]]
-	[[Category: Julien, M]]	+	[[Category: Mcnae IW]]
-	[[Category: Mcnae~~, I W~~]]	+	[[Category: Walkinshaw MD]]
-	[[Category: Walkinshaw~~, M D]]~~	+
-	~~[[Category: Beta barrel]]~~	+
-	~~[[Category: Cytosolic]]~~	+
-	~~[[Category: Isomerase]]~~	+
-	~~[[Category: Ligand complex]]~~	+
-	~~[[Category: Prolyl cis/trans isomerase~~]]	+

OCA at 12:09, 26 August 2020

OCA — Wed, 26 Aug 2020 12:09:19 GMT

←Older revision		Revision as of 12:09, 26 August 2020
Line 1:		Line 1:

	==Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione==		==Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione==
-	<StructureSection load='5nov' size='340' side='right' caption='[[5nov]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='5nov' size='340' side='right'caption='[[5nov]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5nov]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NOV OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5NOV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5nov]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NOV OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5NOV FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=93B:1,3-diazinane-2-thione'>93B</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=93B:1,3-diazinane-2-thione'>93B</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=5nov FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nov OCA], [http://pdbe.org/5nov PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nov RCSB], [http://www.ebi.ac.uk/pdbsum/5nov PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nov 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=5nov FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nov OCA], [http://pdbe.org/5nov PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nov RCSB], [http://www.ebi.ac.uk/pdbsum/5nov PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nov ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	</div>		</div>
	<div class="pdbe-citations 5nov" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5nov" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Cyclophilin 3D structures\|Cyclophilin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Peptidylprolyl isomerase]]		[[Category: Peptidylprolyl isomerase]]
	[[Category: Georgiou, C]]		[[Category: Georgiou, C]]

OCA at 05:55, 17 August 2017

OCA — Thu, 17 Aug 2017 05:55:37 GMT

←Older revision		Revision as of 05:55, 17 August 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5nov is ~~ON HOLD until Paper~~ Publication	+	==Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione==
		+	<StructureSection load='5nov' size='340' side='right' caption='[[5nov]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5nov]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NOV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NOV FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=93B:1,3-diazinane-2-thione'>93B</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </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=5nov FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nov OCA], [http://pdbe.org/5nov PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nov RCSB], [http://www.ebi.ac.uk/pdbsum/5nov PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nov ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PPIA_HUMAN PPIA_HUMAN]] PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Fragment-based drug discovery is an increasingly popular method to identify novel small-molecule drug candidates. One of the limitations of the approach is the difficulty of accurately characterizing weak binding events. This work reports a combination of X-ray diffraction, surface plasmon resonance experiments and molecular dynamics simulations for the characterization of binders to different isoforms of the cyclophilin (Cyp) protein family. Although several Cyp inhibitors have been reported in the literature, it has proven challenging to achieve high binding selectivity for different isoforms of this protein family. The present studies have led to the identification of several structurally novel fragments that bind to diverse Cyp isoforms in distinct pockets with low millimolar dissociation constants. A detailed comparison of the merits and drawbacks of the experimental and computational techniques is presented, and emerging strategies for designing ligands with enhanced isoform specificity are described.

-	~~Authors~~: ~~Georgiou~~, C~~., Mcnae~~, I~~.W.~~, ~~Ioannidis~~, H., ~~Julien, M.~~, Walkinshaw, M.D.	+	Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.,Georgiou C, McNae I, Wear M, Ioannidis H, Michel J, Walkinshaw M J Mol Biol. 2017 Aug 4;429(16):2556-2570. doi: 10.1016/j.jmb.2017.06.016. Epub, 2017 Jun 30. PMID:28673552<ref>PMID:28673552</ref>

-	~~Description: Structure~~ of ~~cyclophilin A in complex with hexahydropyrimidine~~-2-~~thione~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Mcnae~~, ~~I.W~~]]	+	<div class="pdbe-citations 5nov" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Peptidylprolyl isomerase]]
		+	[[Category: Georgiou, C]]
	[[Category: Ioannidis, H]]		[[Category: Ioannidis, H]]
	[[Category: Julien, M]]		[[Category: Julien, M]]
-	[[Category: ~~Georgiou~~, C]]	+	[[Category: Mcnae, I W]]
-	[[Category: Walkinshaw, M.D]]	+	[[Category: Walkinshaw, M D]]
		+	[[Category: Beta barrel]]
		+	[[Category: Cytosolic]]
		+	[[Category: Isomerase]]
		+	[[Category: Ligand complex]]
		+	[[Category: Prolyl cis/trans isomerase]]

OCA at 09:32, 4 May 2017

OCA — Thu, 04 May 2017 09:32:27 GMT

←Older revision		Revision as of 09:32, 4 May 2017
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.		Authors: Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.

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

OCA — Wed, 19 Apr 2017 09:45:35 GMT

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

←Older revision

Revision as of 09:45, 19 April 2017

OCA: New page: '''Unreleased structure''' The entry 5nov is ON HOLD Authors: Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D. Description: Structure of cyclophilin A in complex ...

OCA — Wed, 19 Apr 2017 09:45:34 GMT

New page: '''Unreleased structure''' The entry 5nov is ON HOLD Authors: Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D. Description: Structure of cyclophilin A in complex ...

New page

'''Unreleased structure'''

The entry 5nov is ON HOLD

Authors: Georgiou, C., Mcnae, I.W., Ioannidis, H., Julien, M., Walkinshaw, M.D.

Description: Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione
[[Category: Unreleased Structures]]
[[Category: Mcnae, I.W]]
[[Category: Ioannidis, H]]
[[Category: Julien, M]]
[[Category: Georgiou, C]]
[[Category: Walkinshaw, M.D]]