7ify - Revision history

OCA at 09:17, 6 November 2025

2025-11-06T09:17:44Z

← Older revision		Revision as of 09:17, 6 November 2025
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	~~'''Unreleased structure'''~~

	~~The entry~~ 7ify is ~~ON HOLD until Paper~~ Publication		==Endothiapepsin crystal Apo03 from ECBL-96 fragment library screening campaign used for PanDDA ground state calculation==
			<StructureSection load='7ify' size='340' side='right'caption='[[7ify]], [[Resolution\|resolution]] 1.27Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[7ify]] 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=7IFY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7IFY FirstGlance]. <br>
			</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.27Å</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=7ify FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ify OCA], [https://pdbe.org/7ify PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ify RCSB], [https://www.ebi.ac.uk/pdbsum/7ify PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ify ProSAT]</span></td></tr>
			</table>
			== Function ==
			[https://www.uniprot.org/uniprot/CARP_CRYPA CARP_CRYPA]
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Quite frequently, it is the progression of initial crystallographic fragment screening hits into more potent binders to their target, which constitutes the major bottleneck in many academic compound or drug development projects. While high quality starting points are critical to the success of a drug development project, it is equally important to have accessible pathways for further compound development. Here, we present two crystallographic fragment screening campaigns using a 96 fragment sub-selection of the European Fragment Screening Library (EFSL) provided by EU-OPENSCREEN. The two campaigns against the targets endothiapepsin and the NS2B-NS3 Zika protease, yielded hit rates of 31% and 18%, respectively. Further, we present how within the framework of the EU-OPENSCREEN European Research Infrastructure Consortium (ERIC) fast identification of follow-up compounds can be realized. With just one round of testing related compounds from the European Chemical Biology Library, two follow-up binders for each of the two targets could be identified proving the feasibility of this approach.

	~~Authors~~: ~~Wollenhaupt, J~~., Benz, ~~L.S.~~, Jirgensons, A., Miletic, T., Mueller, U., Weiss~~, M~~.S.		From fragments to follow-ups: rapid hit expansion by making use of EU-OPENSCREEN resources.,Benz LS, Wollenhaupt J, Jirgensons A, Miletic T, Mueller U, Weiss MS RSC Med Chem. 2025 Oct 22. doi: 10.1039/d5md00684h. PMID:41132859<ref>PMID:41132859</ref>

	~~Description~~: ~~Endothiapepsin crystal Apo03 from ECBL-96 fragment library screening campaign used for PanDDA ground state calculation~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	[[Category: ~~Unreleased Structures~~]]		</div>
	[[Category: ~~Mueller, U~~]]		<div class="pdbe-citations 7ify" style="background-color:#fffaf0;"></div>
	[[Category: Benz~~, L.S~~]]		== References ==
	[[Category: ~~Weiss, M.S~~]]		<references/>
	[[Category: Miletic, T]]		__TOC__
	[[Category: ~~Jirgensons, A~~]]		</StructureSection>
	[[Category: Wollenhaupt, J]]		[[Category: Cryphonectria parasitica]]
			[[Category: Large Structures]]
			[[Category: Benz LS]]
			[[Category: Jirgensons A]]
			[[Category: Miletic T]]
			[[Category: Mueller U]]
			[[Category: Weiss MS]]
			[[Category: Wollenhaupt J]]

OCA at 04:07, 6 August 2025

2025-08-06T04:07:05Z

← Older revision		Revision as of 04:07, 6 August 2025
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 7ify is ON HOLD		The entry 7ify is ON HOLD until Paper Publication

	Authors: Wollenhaupt, J., Benz, L.S., Jirgensons, A., Miletic, T., Mueller, U., Weiss, M.S.		Authors: Wollenhaupt, J., Benz, L.S., Jirgensons, A., Miletic, T., Mueller, U., Weiss, M.S.
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	Description: Endothiapepsin crystal Apo03 from ECBL-96 fragment library screening campaign used for PanDDA ground state calculation		Description: Endothiapepsin crystal Apo03 from ECBL-96 fragment library screening campaign used for PanDDA ground state calculation
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: ~~Wollenhaupt~~, J]]		[[Category: Mueller, U]]
	[[Category: Benz, L.S]]		[[Category: Benz, L.S]]
	[[Category: ~~Mueller~~, U]]		[[Category: Weiss, M.S]]
			[[Category: Miletic, T]]
	[[Category: Jirgensons, A]]		[[Category: Jirgensons, A]]
	[[Category: ~~Miletic~~, ~~T]]~~		[[Category: Wollenhaupt, J]]
	~~[[Category: Weiss, M.S~~]]

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

2025-06-18T08:48:16Z

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

← Older revision	Revision as of 08:48, 18 June 2025
(No difference)

OCA: New page: '''Unreleased structure''' The entry 7ify is ON HOLD Authors: Wollenhaupt, J., Benz, L.S., Jirgensons, A., Miletic, T., Mueller, U., Weiss, M.S. Description: Endothiapepsin crystal Apo...

2025-06-18T08:48:15Z

New page: '''Unreleased structure''' The entry 7ify is ON HOLD Authors: Wollenhaupt, J., Benz, L.S., Jirgensons, A., Miletic, T., Mueller, U., Weiss, M.S. Description: Endothiapepsin crystal Apo...

New page

'''Unreleased structure'''

The entry 7ify is ON HOLD

Authors: Wollenhaupt, J., Benz, L.S., Jirgensons, A., Miletic, T., Mueller, U., Weiss, M.S.

Description: Endothiapepsin crystal Apo03 from ECBL-96 fragment library screening campaign used for PanDDA ground state calculation
[[Category: Unreleased Structures]]
[[Category: Wollenhaupt, J]]
[[Category: Benz, L.S]]
[[Category: Mueller, U]]
[[Category: Jirgensons, A]]
[[Category: Miletic, T]]
[[Category: Weiss, M.S]]