7z9w - Revision history

OCA at 13:30, 1 February 2024

OCA — Thu, 01 Feb 2024 13:30:14 GMT

←Older revision		Revision as of 13:30, 1 February 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7z9w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7Z9W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7Z9W FirstGlance]. <br>		<table><tr><td colspan='2'>[[7z9w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7Z9W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7Z9W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BYZ:4-BROMO-1H-PYRAZOLE'>BYZ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 0.988Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BYZ:4-BROMO-1H-PYRAZOLE'>BYZ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=7z9w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7z9w OCA], [https://pdbe.org/7z9w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7z9w RCSB], [https://www.ebi.ac.uk/pdbsum/7z9w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7z9w 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=7z9w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7z9w OCA], [https://pdbe.org/7z9w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7z9w RCSB], [https://www.ebi.ac.uk/pdbsum/7z9w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7z9w ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:16, 7 December 2022

OCA — Wed, 07 Dec 2022 08:16:38 GMT

←Older revision		Revision as of 08:16, 7 December 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7z9w is ~~ON HOLD~~	+	==BRD4 in complex with FragLite1==
		+	<StructureSection load='7z9w' size='340' side='right'caption='[[7z9w]], [[Resolution\|resolution]] 0.99Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7z9w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7Z9W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7Z9W FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BYZ:4-BROMO-1H-PYRAZOLE'>BYZ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=7z9w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7z9w OCA], [https://pdbe.org/7z9w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7z9w RCSB], [https://www.ebi.ac.uk/pdbsum/7z9w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7z9w ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN] Note=A chromosomal aberration involving BRD4 is found in a rare, aggressive, and lethal carcinoma arising in midline organs of young people. Translocation t(15;19)(q14;p13) with NUT which produces a BRD4-NUT fusion protein.<ref>PMID:12543779</ref> <ref>PMID:11733348</ref>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The development of ligands for biological targets is critically dependent on the identification of sites on proteins that bind molecules with high affinity. A set of compounds, called FragLites, can identify such sites, along with the interactions required to gain affinity, by X-ray crystallography. We demonstrate the utility of FragLites in mapping the binding sites of bromodomain proteins BRD4 and ATAD2 and demonstrate that FragLite mapping is comparable to a full fragment screen in identifying ligand binding sites and key interactions. We extend the FragLite set with analogous compounds derived from amino acids (termed PepLites) that mimic the interactions of peptides. The output of the FragLite maps is shown to enable the development of ligands with leadlike potency. This work establishes the use of FragLite and PepLite screening at an early stage in ligand discovery allowing the rapid assessment of tractability of protein targets and informing downstream hit-finding.

-	~~Authors:~~ Turberville, S., ~~Martin~~, M~~.P.~~, ~~Hope~~, I., Noble, M.E.M.	+	Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites horizontal line Halogenated Probes of Druglike and Peptide-like Molecular Interactions.,Davison G, Martin MP, Turberville S, Dormen S, Heath R, Heptinstall AB, Lawson M, Miller DC, Ng YM, Sanderson JN, Hope I, Wood DJ, Cano C, Endicott JA, Hardcastle IR, Noble MEM, Waring MJ J Med Chem. 2022 Nov 11. doi: 10.1021/acs.jmedchem.2c01357. PMID:36367089<ref>PMID:36367089</ref>

-	~~Description~~: ~~BRD4 in complex with FragLite1~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Martin, M.P~~]]	+	<div class="pdbe-citations 7z9w" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Noble, M.E.M~~]]	+	== References ==
-	[[Category: ~~Hope, I~~]]	+	<references/>
-	[[Category: Turberville, S]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Hope I]]
		+	[[Category: Martin MP]]
		+	[[Category: Noble MEM]]
		+	[[Category: Turberville S]]

OCA: Protected "7z9w" [edit=sysop:move=sysop]

OCA — Wed, 30 Mar 2022 09:49:30 GMT

Protected "7z9w" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:49, 30 March 2022

OCA: New page: '''Unreleased structure''' The entry 7z9w is ON HOLD Authors: Turberville, S., Martin, M.P., Hope, I., Noble, M.E.M. Description: BRD4 in complex with FragLite1 [[Category: Unreleased ...

OCA — Wed, 30 Mar 2022 09:49:29 GMT

New page: '''Unreleased structure''' The entry 7z9w is ON HOLD Authors: Turberville, S., Martin, M.P., Hope, I., Noble, M.E.M. Description: BRD4 in complex with FragLite1 [[Category: Unreleased ...

New page

'''Unreleased structure'''

The entry 7z9w is ON HOLD

Authors: Turberville, S., Martin, M.P., Hope, I., Noble, M.E.M.

Description: BRD4 in complex with FragLite1
[[Category: Unreleased Structures]]
[[Category: Martin, M.P]]
[[Category: Noble, M.E.M]]
[[Category: Hope, I]]
[[Category: Turberville, S]]