5a85 - Revision history

OCA at 11:38, 9 May 2024

OCA — Thu, 09 May 2024 11:38:25 GMT

←Older revision		Revision as of 11:38, 9 May 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5a85]] 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=5A85 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A85 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5a85]] 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=5A85 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A85 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=78J:(3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL]AMINO}-3-METHYL-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE'>78J</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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]] 1.72Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=78J:(3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL]AMINO}-3-METHYL-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE'>78J</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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=5a85 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a85 OCA], [https://pdbe.org/5a85 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a85 RCSB], [https://www.ebi.ac.uk/pdbsum/5a85 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a85 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=5a85 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a85 OCA], [https://pdbe.org/5a85 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a85 RCSB], [https://www.ebi.ac.uk/pdbsum/5a85 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a85 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 04:44, 25 May 2023

OCA — Thu, 25 May 2023 04:44:41 GMT

←Older revision		Revision as of 04:44, 25 May 2023
Line 3:		Line 3:
	<StructureSection load='5a85' size='340' side='right'caption='[[5a85]], [[Resolution\|resolution]] 1.72Å' scene=''>		<StructureSection load='5a85' size='340' side='right'caption='[[5a85]], [[Resolution\|resolution]] 1.72Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5a85]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A85 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5A85 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5a85]] 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=5A85 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5A85 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=78J:(3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL]AMINO}-3-METHYL-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE'>78J</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=78J:(3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL]AMINO}-3-METHYL-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE'>78J</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a81\|5a81]], [[5a82\|5a82]], [[5a83\|5a83]]~~</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=5a85 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a85 OCA], [https://pdbe.org/5a85 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5a85 RCSB], [https://www.ebi.ac.uk/pdbsum/5a85 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5a85 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=5a85 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a85 OCA], [~~http~~://pdbe.org/5a85 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5a85 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5a85 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5a85 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Disease ==		== Disease ==
-	[~~[http~~://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>	+	[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 ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).	+	[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;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 29:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bamborough, P]]	+	[[Category: Bamborough P]]
-	[[Category: Chung, C]]	+	[[Category: Chung C]]
-	[[Category: Demont, E]]	+	[[Category: Demont E]]
-	~~[[Category: Antagonist]]~~	+
-	~~[[Category: Brd4]]~~	+
-	~~[[Category: Bromodomain]]~~	+
-	~~[[Category: Bromodomain containing protein 4]]~~	+
-	~~[[Category: Epigenetic reader]]~~	+
-	~~[[Category: Histone]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 08:40, 26 June 2019

OCA — Wed, 26 Jun 2019 08:40:19 GMT

←Older revision		Revision as of 08:40, 26 June 2019
Line 1:		Line 1:
		+
	==N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one==		==N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one==
-	<StructureSection load='5a85' size='340' side='right' caption='[[5a85]], [[Resolution\|resolution]] 1.72Å' scene=''>	+	<StructureSection load='5a85' size='340' side='right'caption='[[5a85]], [[Resolution\|resolution]] 1.72Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5a85]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A85 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A85 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5a85]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A85 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A85 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=78J:(3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL]AMINO}-3-METHYL-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE'>78J</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=78J:(3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL]AMINO}-3-METHYL-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE'>78J</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a81\|5a81]], [[5a82\|5a82]], [[5a83\|5a83]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a81\|5a81]], [[5a82\|5a82]], [[5a83\|5a83]]</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=5a85 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a85 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5a85 RCSB], [http://www.ebi.ac.uk/pdbsum/5a85 PDBsum]</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=5a85 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a85 OCA], [http://pdbe.org/5a85 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5a85 RCSB], [http://www.ebi.ac.uk/pdbsum/5a85 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5a85 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 19:		Line 20:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 5a85" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[ATPase family AAA domain-containing protein\|ATPase family AAA domain-containing protein]]
		+	*[[Bromodomain-containing protein 3D structures\|Bromodomain-containing protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Bamborough, P]]		[[Category: Bamborough, P]]
	[[Category: Chung, C]]		[[Category: Chung, C]]

OCA at 14:31, 12 August 2015

OCA — Wed, 12 Aug 2015 14:31:53 GMT

←Older revision		Revision as of 14:31, 12 August 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one==
		+	<StructureSection load='5a85' size='340' side='right' caption='[[5a85]], [[Resolution\|resolution]] 1.72Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5a85]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5A85 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5A85 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=78J:(3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL]AMINO}-3-METHYL-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE'>78J</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5a81\|5a81]], [[5a82\|5a82]], [[5a83\|5a83]]</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=5a85 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5a85 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5a85 RCSB], [http://www.ebi.ac.uk/pdbsum/5a85 PDBsum]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://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 ==
		+	[[http://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 ==
		+	ATAD2 is a bromodomain-containing protein whose overexpression is linked to poor outcomes in a number of different cancer types. To date, no potent and selective inhibitors of the bromodomain have been reported. This article describes the structure-based optimization of a series of naphthyridones from micromolar leads with no selectivity over the BET bromodomains to inhibitors with sub-100 nM ATAD2 potency and 100-fold BET selectivity.

-	~~The entry 5a85 is ON HOLD~~	+	Structure-Based Optimization of Naphthyridones into Potent ATAD2 Bromodomain Inhibitors.,Bamborough P, Chung CW, Furze RC, Grandi P, Michon AM, Sheppard RJ, Barnett H, Diallo H, Dixon DP, Douault C, Jones EJ, Karamshi B, Mitchell DJ, Prinjha RK, Rau C, Watson RJ, Werner T, Demont EH J Med Chem. 2015 Jul 31. PMID:26230603<ref>PMID:26230603</ref>

-	~~Authors: Chung~~, C.~~, Bamborough, P~~.~~, Demont, E~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-( cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Bamborough, P]]
	[[Category: Chung, C]]		[[Category: Chung, C]]
	[[Category: Demont, E]]		[[Category: Demont, E]]
-	[[Category: ~~Bamborough, P~~]]	+	[[Category: Antagonist]]
		+	[[Category: Brd4]]
		+	[[Category: Bromodomain]]
		+	[[Category: Bromodomain containing protein 4]]
		+	[[Category: Epigenetic reader]]
		+	[[Category: Histone]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]

OCA: Protected "5a85" [edit=sysop:move=sysop]

OCA — Wed, 22 Jul 2015 12:09:22 GMT

Protected "5a85" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:09, 22 July 2015

OCA: New page: '''Unreleased structure''' The entry 5a85 is ON HOLD Authors: Chung, C., Bamborough, P., Demont, E. Description: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-( cyclohexylmetho...

OCA — Wed, 22 Jul 2015 12:09:20 GMT

New page: '''Unreleased structure''' The entry 5a85 is ON HOLD Authors: Chung, C., Bamborough, P., Demont, E. Description: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-( cyclohexylmetho...

New page

'''Unreleased structure'''

The entry 5a85 is ON HOLD

Authors: Chung, C., Bamborough, P., Demont, E.

Description: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-( cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one
[[Category: Unreleased Structures]]
[[Category: Chung, C]]
[[Category: Demont, E]]
[[Category: Bamborough, P]]