6pg1 - Revision history

OCA at 07:28, 11 October 2023

OCA — Wed, 11 Oct 2023 07:28:44 GMT

←Older revision		Revision as of 07:28, 11 October 2023
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	==Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6)==		==Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6)==
-	<StructureSection load='6pg1' size='340' side='right'caption='[[6pg1]]' scene=''>	+	<StructureSection load='6pg1' size='340' side='right'caption='[[6pg1]], [[Resolution\|resolution]] 2.01Å' 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=6PG1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6PG1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6pg1]] 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=6PG1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6PG1 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=6pg1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6pg1 OCA], [https://pdbe.org/6pg1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6pg1 RCSB], [https://www.ebi.ac.uk/pdbsum/6pg1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6pg1 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]] 2.01Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=O7P:2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile'>O7P</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=6pg1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6pg1 OCA], [https://pdbe.org/6pg1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6pg1 RCSB], [https://www.ebi.ac.uk/pdbsum/6pg1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6pg1 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/DSBA_ECOLI DSBA_ECOLI] Required for disulfide bond formation in some periplasmic proteins such as PhoA or OmpA. Acts by transferring its disulfide bond to other proteins and is reduced in the process. DsbA is reoxidized by DsbB. Required for pilus biogenesis. PhoP-regulated transcription is redox-sensitive, being activated when the periplasm becomes more reducing (deletion of dsbA/dsbB, treatment with dithiothreitol). MgrB acts between DsbA/DsbB and PhoP/PhoQ in this pathway.<ref>PMID:1429594</ref> <ref>PMID:22267510</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A bottleneck in fragment-based lead development is the lack of systematic approaches to elaborate the initial fragment hits, which usually bind with low affinity to their target. Herein, we describe an analysis using X-ray crystallography of a diverse library of compounds prepared using microscale parallel synthesis. This approach yielded an 8-fold increase in affinity and detailed structural information for the resulting complex, providing an efficient and broadly applicable approach to early fragment development.
		+
		+	Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).,Bentley MR, Ilyichova OV, Wang G, Williams ML, Sharma G, Alwan WS, Whitehouse RL, Mohanty B, Scammells PJ, Heras B, Martin JL, Totsika M, Capuano B, Doak BC, Scanlon MJ J Med Chem. 2020 Jun 24. doi: 10.1021/acs.jmedchem.0c00111. PMID:32529824<ref>PMID:32529824</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6pg1" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Escherichia coli K-12]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Bentley M]]		[[Category: Bentley M]]

OCA at 08:52, 18 February 2021

OCA — Thu, 18 Feb 2021 08:52:24 GMT

←Older revision		Revision as of 08:52, 18 February 2021
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	<StructureSection load='6pg1' size='340' side='right'caption='[[6pg1]]' scene=''>		<StructureSection load='6pg1' size='340' side='right'caption='[[6pg1]]' 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=6PG1 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6PG1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6PG1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6PG1 FirstGlance]. <br>
-	</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=6pg1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6pg1 OCA], [~~http~~://pdbe.org/6pg1 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6pg1 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6pg1 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6pg1 ProSAT]</span></td></tr>	+	</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=6pg1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6pg1 OCA], [https://pdbe.org/6pg1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6pg1 RCSB], [https://www.ebi.ac.uk/pdbsum/6pg1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6pg1 ProSAT]</span></td></tr>
	</table>		</table>
	__TOC__		__TOC__

OCA at 08:07, 11 November 2020

OCA — Wed, 11 Nov 2020 08:07:47 GMT

←Older revision		Revision as of 08:07, 11 November 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6pg1 ~~is ON HOLD until Paper Publication~~	+	==Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6)==
-		+	<StructureSection load='6pg1' size='340' side='right'caption='[[6pg1]]' scene=''>
-	~~Authors~~: ~~Ilyichova~~, O.V., ~~Bentley~~, M., ~~Doak, B~~., ~~Scanlon, M~~.J.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6PG1 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6PG1 FirstGlance]. <br>
-	~~Description: Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6)~~	+	</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=6pg1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6pg1 OCA], [http://pdbe.org/6pg1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6pg1 RCSB], [http://www.ebi.ac.uk/pdbsum/6pg1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6pg1 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Bentley, M]]	+	__TOC__
-	[[Category: ~~Ilyichova, O.V~~]]	+	</StructureSection>
-	[[Category: ~~Scanlon, M.J~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Doak, B~~]]	+	[[Category: Bentley M]]
		+	[[Category: Doak B]]
		+	[[Category: Ilyichova OV]]
		+	[[Category: Scanlon MJ]]

OCA at 03:48, 13 May 2020

OCA — Wed, 13 May 2020 03:48:19 GMT

←Older revision		Revision as of 03:48, 13 May 2020
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6pg1 is ON HOLD	+	The entry 6pg1 is ON HOLD until Paper Publication

	Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J.		Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J.

OCA at 04:21, 6 May 2020

OCA — Wed, 06 May 2020 04:21:20 GMT

←Older revision		Revision as of 04:21, 6 May 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6pg1 is ON HOLD ~~until Paper Publication~~	+	The entry 6pg1 is ON HOLD

	Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J.		Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J.

-	Description: Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (~~Compound 3~~)	+	Description: Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6)
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Bentley, M]]		[[Category: Bentley, M]]

OCA at 04:06, 10 July 2019

OCA — Wed, 10 Jul 2019 04:06:27 GMT

←Older revision		Revision as of 04:06, 10 July 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6pg1 is ON HOLD	+	The entry 6pg1 is ON HOLD until Paper Publication

	Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J.		Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J.

OCA: Protected "6pg1" [edit=sysop:move=sysop]

OCA — Wed, 03 Jul 2019 04:17:11 GMT

Protected "6pg1" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:17, 3 July 2019

OCA: New page: '''Unreleased structure''' The entry 6pg1 is ON HOLD Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J. Description: Crystal Structure of EcDsbA in a complex with unpurifie...

OCA — Wed, 03 Jul 2019 04:17:09 GMT

New page: '''Unreleased structure''' The entry 6pg1 is ON HOLD Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J. Description: Crystal Structure of EcDsbA in a complex with unpurifie...

New page

'''Unreleased structure'''

The entry 6pg1 is ON HOLD

Authors: Ilyichova, O.V., Bentley, M., Doak, B., Scanlon, M.J.

Description: Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (Compound 3)
[[Category: Unreleased Structures]]
[[Category: Bentley, M]]
[[Category: Ilyichova, O.V]]
[[Category: Scanlon, M.J]]
[[Category: Doak, B]]