5rox - Revision history

OCA at 13:53, 1 March 2024

2024-03-01T13:53:07Z

← Older revision		Revision as of 13:53, 1 March 2024
Line 3:		Line 3:
	<StructureSection load='5rox' size='340' side='right'caption='[[5rox]], [[Resolution\|resolution]] 1.12Å' scene=''>		<StructureSection load='5rox' size='340' side='right'caption='[[5rox]], [[Resolution\|resolution]] 1.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5rox]] 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=5ROX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROX FirstGlance]. <br>		<table><tr><td colspan='2'>[[5rox]] 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=5ROX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROX FirstGlance]. <br>
	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<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]] 1.12Å</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=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=5rox FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rox OCA], [https://pdbe.org/5rox PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rox RCSB], [https://www.ebi.ac.uk/pdbsum/5rox PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rox 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=5rox FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rox OCA], [https://pdbe.org/5rox PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rox RCSB], [https://www.ebi.ac.uk/pdbsum/5rox PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rox 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 5rox" 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

2021-06-25T07:36:53Z

← Older revision		Revision as of 07:36, 25 June 2021
Line 1:		Line 1:

	==PanDDA analysis group deposition -- Proteinase K crystal structure Apo24==		==PanDDA analysis group deposition -- Proteinase K crystal structure Apo24==
	<StructureSection load='5rox' size='340' side='right'caption='[[5rox]]' scene=''>		<StructureSection load='5rox' size='340' side='right'caption='[[5rox]], [[Resolution\|resolution]] 1.12Å' 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=5ROX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROX FirstGlance]. <br>		<table><tr><td colspan='2'>[[5rox]] 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=5ROX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROX 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=5rox FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rox OCA], [https://pdbe.org/5rox PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rox RCSB], [https://www.ebi.ac.uk/pdbsum/5rox PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rox 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=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=5rox FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rox OCA], [https://pdbe.org/5rox PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rox RCSB], [https://www.ebi.ac.uk/pdbsum/5rox PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rox 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 5rox" 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

2021-05-26T09:14:36Z

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

	~~The entry~~ 5rox is ~~ON HOLD until Paper Publication~~		==PanDDA analysis group deposition -- Proteinase K crystal structure Apo24==
			<StructureSection load='5rox' size='340' side='right'caption='[[5rox]]' 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=5ROX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROX FirstGlance]. <br>
	~~Description: PanDDA analysis group deposition --Proteinase K crystal structure Apo24~~		</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=5rox FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rox OCA], [https://pdbe.org/5rox PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rox RCSB], [https://www.ebi.ac.uk/pdbsum/5rox PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rox 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 14:17, 10 March 2021

2021-03-10T14:17:11Z

← Older revision		Revision as of 14:17, 10 March 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 5rox is ON HOLD		The entry 5rox 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: Protected "5rox" [edit=sysop:move=sysop]

2020-10-07T04:09:52Z

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

← Older revision	Revision as of 04:09, 7 October 2020
(No difference)

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

2020-10-07T04:09:51Z

New page: '''Unreleased structure''' The entry 5rox 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 5rox is ON HOLD

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

Description: PanDDA analysis group deposition --Proteinase K crystal structure Apo24
[[Category: Unreleased Structures]]
[[Category: Talibov, V]]
[[Category: Lima, G.M.A]]
[[Category: Mueller, U]]
[[Category: Benz, L.S]]
[[Category: Jagudin, E]]