7qmq - Revision history

OCA at 13:19, 1 February 2024

OCA — Thu, 01 Feb 2024 13:19:55 GMT

←Older revision		Revision as of 13:19, 1 February 2024
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	==Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)==		==Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)==
-	<StructureSection load='7qmq' size='340' side='right'caption='[[7qmq]]' scene=''>	+	<StructureSection load='7qmq' size='340' side='right'caption='[[7qmq]], [[Resolution\|resolution]] 1.79Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QMQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QMQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7qmq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QMQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QMQ FirstGlance]. <br>
-	</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=7qmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qmq OCA], [https://pdbe.org/7qmq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qmq RCSB], [https://www.ebi.ac.uk/pdbsum/7qmq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qmq ProSAT]</span></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]] 1.79Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=PG5:1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE'>PG5</scene>, <scene name='pdbligand=U1H:[4-(trifluoromethyl)phenyl]methanamine'>U1H</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=7qmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qmq OCA], [https://pdbe.org/7qmq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qmq RCSB], [https://www.ebi.ac.uk/pdbsum/7qmq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qmq ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/CARP_CRYPA CARP_CRYPA]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Continuous developments in cryogenic X-ray crystallography have provided most of our knowledge of 3D protein structures, which has recently been further augmented by revolutionary advances in cryoEM. However, a single structural conformation identified at cryogenic temperatures may introduce a fictitious structure as a result of cryogenic cooling artefacts, limiting the overview of inherent protein physiological dynamics, which play a critical role in the biological functions of proteins. Here, a room-temperature X-ray crystallographic method using temperature as a trigger to record movie-like structural snapshots has been developed. The method has been used to show how TL00150, a 175.15 Da fragment, undergoes binding-mode changes in endothiapepsin. A surprising fragment-binding discrepancy was observed between the cryo-cooled and physiological temperature structures, and multiple binding poses and their interplay with DMSO were captured. The observations here open up new promising prospects for structure determination and interpretation at physiological temperatures with implications for structure-based drug discovery.
		+
		+	Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.,Huang CY, Aumonier S, Engilberge S, Eris D, Smith KML, Leonarski F, Wojdyla JA, Beale JH, Buntschu D, Pauluhn A, Sharpe ME, Metz A, Olieric V, Wang M Acta Crystallogr D Struct Biol. 2022 Aug 1;78(Pt 8):964-974. doi:, 10.1107/S205979832200612X. Epub 2022 Jul 27. PMID:35916221<ref>PMID:35916221</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7qmq" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Cryphonectria parasitica]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Aumonier S]]		[[Category: Aumonier S]]
	[[Category: Huang CY]]		[[Category: Huang CY]]
	[[Category: Wang M]]		[[Category: Wang M]]

OCA at 06:18, 18 August 2022

OCA — Thu, 18 Aug 2022 06:18:04 GMT

←Older revision		Revision as of 06:18, 18 August 2022
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-	'''Unreleased structure'''

-	~~The entry 7qmq is ON HOLD until Paper Publication~~	+	==Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)==
-		+	<StructureSection load='7qmq' size='340' side='right'caption='[[7qmq]]' scene=''>
-	~~Authors: Huang, C.Y., Aumonier, S., Wang, M.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QMQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QMQ FirstGlance]. <br>
-	~~Description:~~ Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)	+	</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=7qmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qmq OCA], [https://pdbe.org/7qmq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qmq RCSB], [https://www.ebi.ac.uk/pdbsum/7qmq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qmq ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[~~Category~~: ~~Wang~~, M]]	+	__TOC__
-	[[Category: Aumonier, S]]	+	</StructureSection>
-	[[Category: Huang~~, C.Y~~]]	+	[[Category: Large Structures]]
		+	[[Category: Aumonier S]]
		+	[[Category: Huang CY]]
		+	[[Category: Wang M]]

OCA at 06:23, 23 February 2022

OCA — Wed, 23 Feb 2022 06:23:39 GMT

←Older revision		Revision as of 06:23, 23 February 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7qmq is ON HOLD	+	The entry 7qmq is ON HOLD until Paper Publication

	Authors: Huang, C.Y., Aumonier, S., Wang, M.		Authors: Huang, C.Y., Aumonier, S., Wang, M.

OCA: Protected "7qmq" [edit=sysop:move=sysop]

OCA — Wed, 29 Dec 2021 11:54:55 GMT

Protected "7qmq" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:54, 29 December 2021

OCA: New page: '''Unreleased structure''' The entry 7qmq is ON HOLD Authors: Huang, C.Y., Aumonier, S., Wang, M. Description: Endothiapepsin in complex with compound TL00150 at room-temperature (temp...

OCA — Wed, 29 Dec 2021 11:54:53 GMT

New page: '''Unreleased structure''' The entry 7qmq is ON HOLD Authors: Huang, C.Y., Aumonier, S., Wang, M. Description: Endothiapepsin in complex with compound TL00150 at room-temperature (temp...

New page

'''Unreleased structure'''

The entry 7qmq is ON HOLD

Authors: Huang, C.Y., Aumonier, S., Wang, M.

Description: Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)
[[Category: Unreleased Structures]]
[[Category: Wang, M]]
[[Category: Aumonier, S]]
[[Category: Huang, C.Y]]