5roq - Revision history

OCA at 13:52, 1 March 2024

2024-03-01T13:52:55Z

←Older revision		Revision as of 13:52, 1 March 2024
Line 3:		Line 3:
	<StructureSection load='5roq' size='340' side='right'caption='[[5roq]], [[Resolution\|resolution]] 1.02Å' scene=''>		<StructureSection load='5roq' size='340' side='right'caption='[[5roq]], [[Resolution\|resolution]] 1.02Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5roq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Beauveria_alba Beauveria alba~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ROQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5roq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Parengyodontium_album Parengyodontium album]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ROQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROQ FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=47E:(2R)~~-~~(3-CHLOROPHENYL)(HYDROXY)ETHANOIC+ACID'>47E</scene>~~, ~~<scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.02Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>PROK ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~37998 Beauveria alba])</td~~><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=47E:(2R)-(3-CHLOROPHENYL)(HYDROXY)ETHANOIC+ACID'>47E</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[https://en.wikipedia.org/wiki/Peptidase_K Peptidase K], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.64 3.4.21.64]~~ </~~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=5roq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5roq OCA], [https://pdbe.org/5roq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5roq RCSB], [https://www.ebi.ac.uk/pdbsum/5roq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5roq 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=5roq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5roq OCA], [https://pdbe.org/5roq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5roq RCSB], [https://www.ebi.ac.uk/pdbsum/5roq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5roq ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/PRTK_PARAQ PRTK_PARAQ]] Hydrolyzes keratin at aromatic and hydrophobic residues.	+	[https://www.uniprot.org/uniprot/PRTK_PARAQ PRTK_PARAQ] Hydrolyzes keratin at aromatic and hydrophobic residues.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Crystallographic fragment screening (CFS) has become one of the major techniques for screening compounds in the early stages of drug-discovery projects. Following the advances in automation and throughput at modern macromolecular crystallography beamlines, the bottleneck for CFS has shifted from collecting data to organizing and handling the analysis of such projects. The complexity that emerges from the use of multiple methods for processing and refinement and to search for ligands requires an equally sophisticated solution to summarize the output, allowing researchers to focus on the scientific questions instead of on software technicalities. FragMAXapp is the fragment-screening project-management tool designed to handle CFS projects at MAX IV Laboratory. It benefits from the powerful computing infrastructure of large-scale facilities and, as a web application, it is accessible from everywhere.	+
-		+
-	FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.,Lima GMA, Jagudin E, Talibov VO, Benz LS, Marullo C, Barthel T, Wollenhaupt J, Weiss MS, Mueller U Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):799-808. doi:, 10.1107/S2059798321003818. Epub 2021 May 14. PMID:34076593<ref>PMID:34076593</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 5roq" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references/>~~	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Beauveria alba]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Peptidase K~~]]	+	[[Category: Parengyodontium album]]
-	[[Category: Benz~~, L S~~]]	+	[[Category: Benz LS]]
-	[[Category: Jagudin, E]]	+	[[Category: Jagudin E]]
-	[[Category: Lima~~, G M.A~~]]	+	[[Category: Lima GMA]]
-	[[Category: Mueller, U]]	+	[[Category: Mueller U]]
-	[[Category: Talibov, V]]	+	[[Category: Talibov V]]
-	~~[[Category: Fragmax]]~~	+
-	~~[[Category: Fragmaxapp]]~~	+
-	~~[[Category: Fragment screening]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibition~~]]	+

OCA at 07:36, 25 June 2021

2021-06-25T07:36:29Z

←Older revision		Revision as of 07:36, 25 June 2021
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	==PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a==		==PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a==
-	<StructureSection load='5roq' size='340' side='right'caption='[[5roq]]' scene=''>	+	<StructureSection load='5roq' size='340' side='right'caption='[[5roq]], [[Resolution\|resolution]] 1.02Å' 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=5ROQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5roq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Beauveria_alba Beauveria alba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ROQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROQ 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=5roq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5roq OCA], [https://pdbe.org/5roq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5roq RCSB], [https://www.ebi.ac.uk/pdbsum/5roq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5roq ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=47E:(2R)-(3-CHLOROPHENYL)(HYDROXY)ETHANOIC+ACID'>47E</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PROK ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=37998 Beauveria alba])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Peptidase_K Peptidase K], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.64 3.4.21.64] </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=5roq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5roq OCA], [https://pdbe.org/5roq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5roq RCSB], [https://www.ebi.ac.uk/pdbsum/5roq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5roq ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/PRTK_PARAQ PRTK_PARAQ]] Hydrolyzes keratin at aromatic and hydrophobic residues.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Crystallographic fragment screening (CFS) has become one of the major techniques for screening compounds in the early stages of drug-discovery projects. Following the advances in automation and throughput at modern macromolecular crystallography beamlines, the bottleneck for CFS has shifted from collecting data to organizing and handling the analysis of such projects. The complexity that emerges from the use of multiple methods for processing and refinement and to search for ligands requires an equally sophisticated solution to summarize the output, allowing researchers to focus on the scientific questions instead of on software technicalities. FragMAXapp is the fragment-screening project-management tool designed to handle CFS projects at MAX IV Laboratory. It benefits from the powerful computing infrastructure of large-scale facilities and, as a web application, it is accessible from everywhere.
		+
		+	FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.,Lima GMA, Jagudin E, Talibov VO, Benz LS, Marullo C, Barthel T, Wollenhaupt J, Weiss MS, Mueller U Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):799-808. doi:, 10.1107/S2059798321003818. Epub 2021 May 14. PMID:34076593<ref>PMID:34076593</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5roq" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Beauveria alba]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Benz LS]]	+	[[Category: Peptidase K]]
-	[[Category: Jagudin E]]	+	[[Category: Benz, L S]]
-	[[Category: Lima ~~GMA~~]]	+	[[Category: Jagudin, E]]
-	[[Category: Mueller U]]	+	[[Category: Lima, G M.A]]
-	[[Category: Talibov V]]	+	[[Category: Mueller, U]]
		+	[[Category: Talibov, V]]
		+	[[Category: Fragmax]]
		+	[[Category: Fragmaxapp]]
		+	[[Category: Fragment screening]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibition]]

OCA at 09:14, 26 May 2021

2021-05-26T09:14:25Z

←Older revision		Revision as of 09:14, 26 May 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5roq ~~is ON HOLD until Paper Publication~~	+	==PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a==
-		+	<StructureSection load='5roq' size='340' side='right'caption='[[5roq]]' scene=''>
-	~~Authors~~: ~~Lima~~, G.M.A., ~~Talibov, V~~., ~~Benz, L~~.S., ~~Jagudin, E~~., ~~Mueller, U~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ROQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROQ FirstGlance]. <br>
-	~~Description: PanDDA analysis group deposition --Proteinase K changed state model for fragment Frag Xtal Screen A12a~~	+	</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=5roq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5roq OCA], [https://pdbe.org/5roq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5roq RCSB], [https://www.ebi.ac.uk/pdbsum/5roq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5roq ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Talibov, V~~]]	+	__TOC__
-	[[Category: ~~Lima, G.M.A~~]]	+	</StructureSection>
-	[[Category: ~~Mueller, U~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Benz, L.S~~]]	+	[[Category: Benz LS]]
-	[[Category: ~~Jagudin, E~~]]	+	[[Category: Jagudin E]]
		+	[[Category: Lima GMA]]
		+	[[Category: Mueller U]]
		+	[[Category: Talibov V]]

OCA at 14:16, 10 March 2021

2021-03-10T14:16:42Z

←Older revision		Revision as of 14:16, 10 March 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Lima, G.M.A., Talibov, V., Benz, L.S., Jagudin, E., Mueller, U.		Authors: Lima, G.M.A., Talibov, V., Benz, L.S., Jagudin, E., Mueller, U.

OCA at 13:03, 3 March 2021

2021-03-03T13:03:12Z

←Older revision		Revision as of 13:03, 3 March 2021
Line 5:		Line 5:
	Authors: Lima, G.M.A., Talibov, V., Benz, L.S., Jagudin, E., Mueller, U.		Authors: Lima, G.M.A., Talibov, V., Benz, L.S., Jagudin, E., Mueller, U.

-	Description: PanDDA analysis group deposition --Proteinase K changed state model ~~in complex with~~ Frag Xtal Screen A12a	+	Description: PanDDA analysis group deposition --Proteinase K changed state model for fragment Frag Xtal Screen A12a
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Talibov, V]]		[[Category: Talibov, V]]

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

2020-10-07T04:09:31Z

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

←Older revision

Revision as of 04:09, 7 October 2020

OCA: New page: '''Unreleased structure''' The entry 5roq is ON HOLD Authors: Lima, G.M.A., Talibov, V., Benz, L.S., Jagudin, E., Mueller, U. Description: PanDDA analysis group deposition --Proteinase...

2020-10-07T04:09:29Z

New page: '''Unreleased structure''' The entry 5roq is ON HOLD Authors: Lima, G.M.A., Talibov, V., Benz, L.S., Jagudin, E., Mueller, U. Description: PanDDA analysis group deposition --Proteinase...

New page

'''Unreleased structure'''

The entry 5roq is ON HOLD

Authors: Lima, G.M.A., Talibov, V., Benz, L.S., Jagudin, E., Mueller, U.

Description: PanDDA analysis group deposition --Proteinase K changed state model in complex with Frag Xtal Screen A12a
[[Category: Unreleased Structures]]
[[Category: Talibov, V]]
[[Category: Lima, G.M.A]]
[[Category: Mueller, U]]
[[Category: Benz, L.S]]
[[Category: Jagudin, E]]