6df4 - Revision history

OCA at 06:05, 11 October 2023

OCA — Wed, 11 Oct 2023 06:05:16 GMT

←Older revision		Revision as of 06:05, 11 October 2023
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	==TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)==		==TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)==
-	<StructureSection load='6df4' size='340' side='right' caption='[[6df4]], [[Resolution\|resolution]] 1.30Å' scene=''>	+	<StructureSection load='6df4' size='340' side='right'caption='[[6df4]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6df4]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~European_rabbit European rabbit~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DF4 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6DF4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6df4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DF4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6DF4 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G9Y:6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one'>G9Y</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]] 1.3Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TAF1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9986 European rabbit])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=G9Y:6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one'>G9Y</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6df4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6df4 OCA], [~~http~~://pdbe.org/6df4 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6df4 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6df4 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6df4 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=6df4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6df4 OCA], [https://pdbe.org/6df4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6df4 RCSB], [https://www.ebi.ac.uk/pdbsum/6df4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6df4 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/U3KMH2_RABIT U3KMH2_RABIT]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 17:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6df4" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6df4" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Transcription initiation factors 3D structures\|Transcription initiation factors 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~European rabbit~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Murray, J M~~]]	+	[[Category: Oryctolagus cuniculus]]
-	[[Category: ~~Tang, Y~~]]	+	[[Category: Murray JM]]
-	[[Category: ~~Bromodomain]]~~	+	[[Category: Tang Y]]
-	~~[[Category: Sbdd]]~~	+
-	~~[[Category: Small molecule inhibitor]]~~	+
-	~~[[Category: Taf1-bd2]]~~	+
-	~~[[Category: Transcription-inhibitor complex~~]]	+

OCA at 08:58, 14 November 2018

OCA — Wed, 14 Nov 2018 08:58:21 GMT

←Older revision		Revision as of 08:58, 14 November 2018
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	<StructureSection load='6df4' size='340' side='right' caption='[[6df4]], [[Resolution\|resolution]] 1.30Å' scene=''>		<StructureSection load='6df4' size='340' side='right' caption='[[6df4]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6df4]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DF4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DF4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6df4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/European_rabbit European rabbit]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DF4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DF4 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G9Y:6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one'>G9Y</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G9Y:6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one'>G9Y</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TAF1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9986 European rabbit])</td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6df4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6df4 OCA], [http://pdbe.org/6df4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6df4 RCSB], [http://www.ebi.ac.uk/pdbsum/6df4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6df4 ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6df4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6df4 OCA], [http://pdbe.org/6df4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6df4 RCSB], [http://www.ebi.ac.uk/pdbsum/6df4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6df4 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The biological functions of the dual bromodomains of human transcription-initiation-factor TFIID subunit 1 (TAF1(1,2)) remain unknown, although TAF1 has been identified as a potential target for oncology research. Here, we describe the discovery of a potent and selective in vitro tool compound for TAF1(2), starting from a previously reported lead. A cocrystal structure of lead compound 2 bound to TAF1(2) enabled structure-based design and structure-activity-relationship studies that ultimately led to our in vitro tool compound, 27 (GNE-371). Compound 27 binds TAF1(2) with an IC50 of 10 nM while maintaining excellent selectivity over other bromodomain-family members. Compound 27 is also active in a cellular-TAF1(2) target-engagement assay (IC50 = 38 nM) and exhibits antiproliferative synergy with the BET inhibitor JQ1, suggesting engagement of endogenous TAF1 by 27 and further supporting the use of 27 in mechanistic and target-validation studies.
		+
		+	GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.,Wang S, Tsui V, Crawford TD, Audia JE, Burdick DJ, Beresini MH, Cote A, Cummings R, Duplessis M, Flynn EM, Hewitt MC, Huang HR, Jayaram H, Jiang Y, Joshi S, Murray J, Nasveschuk CG, Pardo E, Poy F, Romero FA, Tang Y, Taylor AM, Wang J, Xu Z, Zawadzke LE, Zhu X, Albrecht BK, Magnuson SR, Bellon S, Cochran AG J Med Chem. 2018 Oct 25;61(20):9301-9315. doi: 10.1021/acs.jmedchem.8b01225. Epub, 2018 Oct 5. PMID:30289257<ref>PMID:30289257</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6df4" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: European rabbit]]
	[[Category: Murray, J M]]		[[Category: Murray, J M]]
	[[Category: Tang, Y]]		[[Category: Tang, Y]]

OCA at 06:50, 31 October 2018

OCA — Wed, 31 Oct 2018 06:50:11 GMT

←Older revision		Revision as of 06:50, 31 October 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 6df4 is ON HOLD until Paper Publication~~	+	==TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)==
-		+	<StructureSection load='6df4' size='340' side='right' caption='[[6df4]], [[Resolution\|resolution]] 1.30Å' scene=''>
-	~~Authors: Murray, J.M., Tang, Y.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6df4]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DF4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DF4 FirstGlance]. <br>
-	~~Description:~~ TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G9Y:6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one'>G9Y</scene></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6df4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6df4 OCA], [http://pdbe.org/6df4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6df4 RCSB], [http://www.ebi.ac.uk/pdbsum/6df4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6df4 ProSAT]</span></td></tr>
-	[[Category: Murray, J.M]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Murray, J M]]
	[[Category: Tang, Y]]		[[Category: Tang, Y]]
		+	[[Category: Bromodomain]]
		+	[[Category: Sbdd]]
		+	[[Category: Small molecule inhibitor]]
		+	[[Category: Taf1-bd2]]
		+	[[Category: Transcription-inhibitor complex]]

OCA at 05:35, 14 June 2018

OCA — Thu, 14 Jun 2018 05:35:19 GMT

←Older revision		Revision as of 05:35, 14 June 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6df4 is ON HOLD	+	The entry 6df4 is ON HOLD until Paper Publication

	Authors: Murray, J.M., Tang, Y.		Authors: Murray, J.M., Tang, Y.
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	Description: TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)		Description: TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Tang, Y]]
	[[Category: Murray, J.M]]		[[Category: Murray, J.M]]
		+	[[Category: Tang, Y]]

OCA: Protected "6df4" [edit=sysop:move=sysop]

OCA — Wed, 23 May 2018 06:01:55 GMT

Protected "6df4" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:01, 23 May 2018

OCA: New page: '''Unreleased structure''' The entry 6df4 is ON HOLD Authors: Murray, J.M., Tang, Y. Description: TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1...

OCA — Wed, 23 May 2018 06:01:54 GMT

New page: '''Unreleased structure''' The entry 6df4 is ON HOLD Authors: Murray, J.M., Tang, Y. Description: TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1...

New page

'''Unreleased structure'''

The entry 6df4 is ON HOLD

Authors: Murray, J.M., Tang, Y.

Description: TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
[[Category: Unreleased Structures]]
[[Category: Tang, Y]]
[[Category: Murray, J.M]]