4hxl - Revision history

OCA at 11:47, 1 March 2024

OCA — Fri, 01 Mar 2024 11:47:11 GMT

←Older revision		Revision as of 11:47, 1 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4hxl]] 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=4HXL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HXL FirstGlance]. <br>		<table><tr><td colspan='2'>[[4hxl]] 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=4HXL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HXL FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1A9:3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE'>1A9</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]] 1.52Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1A9:3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE'>1A9</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=4hxl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hxl OCA], [https://pdbe.org/4hxl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hxl RCSB], [https://www.ebi.ac.uk/pdbsum/4hxl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hxl 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=4hxl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hxl OCA], [https://pdbe.org/4hxl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hxl RCSB], [https://www.ebi.ac.uk/pdbsum/4hxl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hxl ProSAT]</span></td></tr>
	</table>		</table>
Line 11:		Line 12:
	== Function ==		== Function ==
	[https://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;">
-	== Publication Abstract from PubMed ==
-	Recognizing acetyllysine of histone is a vital process of epigenetic regulations, which is mediated by a protein module called bromodomain. To contribute novel scaffolds for developing into bromodomain inhibitors, we utilize a fragment-based drug discovery approach. By successively applying docking and X-ray crystallography, we were able to identify 9 fragment hits from diffracting more than 60 crystals. In the present work, we described four of them, and carried out the integrated lead optimization for fragment 8, which bears a 2-thiazolidinone core. After several rounds of structure guided modifications, we assessed the druggability of 2-thiazolidinone by modulating in vitro pharmacokinetic studies and cellular activity assay. The results showed that two potent compounds of 2-thiazolidinones have good metabolic stability. Also the cellular assay confirmed the activities of 2-thiazolidinones. Together, we hope the identified 2-thiazolidinone chemotype as well as other fragment hits described herein, can stimulate researchers to develop more diversified bromodomain inhibitors.
-
-	Fragment-based Drug Discovery of 2-thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.,Zhao L, Cao D, Chen T, Wang Y, Miao ZH, Xu Y, Chen W, Wang X, Li Y, Du Z, Xiong B, Li J, Xu C, Zhang N, He J, Shen J J Med Chem. 2013 Mar 26. PMID:23530754<ref>PMID:23530754</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4hxl" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 08:24, 9 November 2022

OCA — Wed, 09 Nov 2022 08:24:57 GMT

←Older revision		Revision as of 08:24, 9 November 2022
Line 1:		Line 1:

	==Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor==		==Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor==
-	<StructureSection load='4hxl' size='340' side='right' caption='[[4hxl]], [[Resolution\|resolution]] 1.52Å' scene=''>	+	<StructureSection load='4hxl' size='340' side='right'caption='[[4hxl]], [[Resolution\|resolution]] 1.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4hxl]] 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=4HXL OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4HXL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4hxl]] 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=4HXL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HXL FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1A9:3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE'>1A9</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1A9:3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE'>1A9</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hxk\|4hxk]], [[4hxm\|4hxm]], [[4hxn\|4hxn]], [[4hxo\|4hxo]], [[4hxp\|4hxp]], [[4hxr\|4hxr]], [[4hxs\|4hxs]]</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=4hxl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hxl OCA], [https://pdbe.org/4hxl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hxl RCSB], [https://www.ebi.ac.uk/pdbsum/4hxl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hxl ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=4hxl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hxl OCA], [~~http~~://pdbe.org/4hxl PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4hxl RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4hxl PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4hxl 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 24:		Line 22:

	==See Also==		==See Also==
-	*[[Bromodomain-containing protein\|Bromodomain-containing protein]]	+	*[[Bromodomain-containing protein 3D structures\|Bromodomain-containing protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
-	[[Category: ~~Cao, D Y~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Chen, T T~~]]	+	[[Category: Cao DY]]
-	[[Category: Chen~~, W Y~~]]	+	[[Category: Chen TT]]
-	[[Category: ~~Shen, J K~~]]	+	[[Category: Chen WY]]
-	[[Category: ~~Xiong, B~~]]	+	[[Category: Shen JK]]
-	[[Category: ~~Xu, Y C~~]]	+	[[Category: Xiong B]]
-	[[Category: ~~Brd4]]~~	+	[[Category: Xu YC]]
-	~~[[Category: Bromodomain]]~~	+
-	~~[[Category: Four alpha helice]]~~	+
-	~~[[Category: Protein binding-inhibitor complex~~]]	+

OCA at 07:21, 23 December 2016

OCA — Fri, 23 Dec 2016 07:21:28 GMT

←Older revision		Revision as of 07:21, 23 December 2016
Line 1:		Line 1:
		+
	==Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor==		==Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor==
	<StructureSection load='4hxl' size='340' side='right' caption='[[4hxl]], [[Resolution\|resolution]] 1.52Å' scene=''>		<StructureSection load='4hxl' size='340' side='right' caption='[[4hxl]], [[Resolution\|resolution]] 1.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4hxl]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HXL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HXL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4hxl]] 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=4HXL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HXL FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1A9:3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE'>1A9</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1A9:3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE'>1A9</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hxk\|4hxk]], [[4hxm\|4hxm]], [[4hxn\|4hxn]], [[4hxo\|4hxo]], [[4hxp\|4hxp]], [[4hxr\|4hxr]], [[4hxs\|4hxs]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hxk\|4hxk]], [[4hxm\|4hxm]], [[4hxn\|4hxn]], [[4hxo\|4hxo]], [[4hxp\|4hxp]], [[4hxr\|4hxr]], [[4hxs\|4hxs]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4hxl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hxl OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hxl RCSB], [http://www.ebi.ac.uk/pdbsum/4hxl 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=4hxl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hxl OCA], [http://pdbe.org/4hxl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4hxl RCSB], [http://www.ebi.ac.uk/pdbsum/4hxl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4hxl ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 21:
	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 4hxl" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Bromodomain-containing protein\|Bromodomain-containing protein]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Cao, D Y]]		[[Category: Cao, D Y]]
	[[Category: Chen, T T]]		[[Category: Chen, T T]]

OCA at 09:28, 15 February 2015

OCA — Sun, 15 Feb 2015 09:28:53 GMT

←Older revision		Revision as of 09:28, 15 February 2015
Line 1:		Line 1:
-	{~~{STRUCTURE_4hxl\| PDB~~=4hxl \| ~~SCENE~~= }}	+	==Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor==
-	===~~Brd4 Bromodomain~~ 1 ~~complex~~ with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE ~~inhibitor~~===	+	<StructureSection load='4hxl' size='340' side='right' caption='[[4hxl]], [[Resolution\|resolution]] 1.52Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23530754}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4hxl]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HXL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HXL FirstGlance]. <br>
-	==Disease==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1A9:3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE'>1A9</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hxk\|4hxk]], [[4hxm\|4hxm]], [[4hxn\|4hxn]], [[4hxo\|4hxo]], [[4hxp\|4hxp]], [[4hxr\|4hxr]], [[4hxs\|4hxs]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BRD4, HUNK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=4hxl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hxl OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hxl RCSB], [http://www.ebi.ac.uk/pdbsum/4hxl 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>		[[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 ==
-	==Function==	+
	[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).		[[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 ==
		+	Recognizing acetyllysine of histone is a vital process of epigenetic regulations, which is mediated by a protein module called bromodomain. To contribute novel scaffolds for developing into bromodomain inhibitors, we utilize a fragment-based drug discovery approach. By successively applying docking and X-ray crystallography, we were able to identify 9 fragment hits from diffracting more than 60 crystals. In the present work, we described four of them, and carried out the integrated lead optimization for fragment 8, which bears a 2-thiazolidinone core. After several rounds of structure guided modifications, we assessed the druggability of 2-thiazolidinone by modulating in vitro pharmacokinetic studies and cellular activity assay. The results showed that two potent compounds of 2-thiazolidinones have good metabolic stability. Also the cellular assay confirmed the activities of 2-thiazolidinones. Together, we hope the identified 2-thiazolidinone chemotype as well as other fragment hits described herein, can stimulate researchers to develop more diversified bromodomain inhibitors.

-	~~==About this Structure==~~	+	Fragment-based Drug Discovery of 2-thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.,Zhao L, Cao D, Chen T, Wang Y, Miao ZH, Xu Y, Chen W, Wang X, Li Y, Du Z, Xiong B, Li J, Xu C, Zhang N, He J, Shen J J Med Chem. 2013 Mar 26. PMID:23530754<ref>PMID:23530754</ref>
-	~~[[4hxl]] is a 1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http~~:/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=4HXL OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group="xtra">PMID:023530754</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Cao, D Y.]]	+	[[Category: Cao, D Y]]
-	[[Category: Chen, T T.]]	+	[[Category: Chen, T T]]
-	[[Category: Chen, W Y.]]	+	[[Category: Chen, W Y]]
-	[[Category: Shen, J K.]]	+	[[Category: Shen, J K]]
-	[[Category: Xiong, B.]]	+	[[Category: Xiong, B]]
-	[[Category: Xu, Y C.]]	+	[[Category: Xu, Y C]]
	[[Category: Brd4]]		[[Category: Brd4]]
	[[Category: Bromodomain]]		[[Category: Bromodomain]]
	[[Category: Four alpha helice]]		[[Category: Four alpha helice]]
	[[Category: Protein binding-inhibitor complex]]		[[Category: Protein binding-inhibitor complex]]

OCA at 09:02, 19 June 2013

OCA — Wed, 19 Jun 2013 09:02:16 GMT

←Older revision		Revision as of 09:02, 19 June 2013
Line 13:		Line 13:

	==Reference==		==Reference==
-	<references group="xtra"/><references/>	+	<ref group="xtra">PMID:023530754</ref><references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Cao, D Y.]]		[[Category: Cao, D Y.]]

OCA at 01:37, 4 April 2013

OCA — Thu, 04 Apr 2013 01:37:14 GMT

←Older revision		Revision as of 01:37, 4 April 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_4hxl\| PDB=4hxl \| SCENE= }}
		+	===Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor===
		+	{{ABSTRACT_PUBMED_23530754}}

-	~~The entry 4hxl~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	==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>

-	~~Authors~~: ~~Xiong, B~~.~~, Cao, D~~.~~Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K~~.	+	==Function==
		+	[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).

-	~~Description~~: Brd4 Bromodomain 1 complex ~~with its novel inhibitors~~	+	==About this Structure==
		+	[[4hxl]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HXL OCA].
		+
		+	==Reference==
		+	<references group="xtra"/><references/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Cao, D Y.]]
		+	[[Category: Chen, T T.]]
		+	[[Category: Chen, W Y.]]
		+	[[Category: Shen, J K.]]
		+	[[Category: Xiong, B.]]
		+	[[Category: Xu, Y C.]]
		+	[[Category: Brd4]]
		+	[[Category: Bromodomain]]
		+	[[Category: Four alpha helice]]
		+	[[Category: Protein binding-inhibitor complex]]

OCA at 20:45, 12 December 2012

OCA — Wed, 12 Dec 2012 20:45:54 GMT

←Older revision		Revision as of 20:45, 12 December 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4hxl is ON HOLD	+	The entry 4hxl is ON HOLD until Paper Publication

	Authors: Xiong, B., Cao, D.Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K.		Authors: Xiong, B., Cao, D.Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K.

	Description: Brd4 Bromodomain 1 complex with its novel inhibitors		Description: Brd4 Bromodomain 1 complex with its novel inhibitors

OCA: Protected "4hxl" [edit=sysop:move=sysop]

OCA — Wed, 21 Nov 2012 09:09:04 GMT

Protected "4hxl" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:09, 21 November 2012

OCA: New page: '''Unreleased structure''' The entry 4hxl is ON HOLD Authors: Xiong, B., Cao, D.Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K. Description: Brd4 Bromodomain 1 complex with its novel ...

OCA — Wed, 21 Nov 2012 09:09:03 GMT

New page: '''Unreleased structure''' The entry 4hxl is ON HOLD Authors: Xiong, B., Cao, D.Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K. Description: Brd4 Bromodomain 1 complex with its novel ...

New page

'''Unreleased structure'''

The entry 4hxl is ON HOLD

Authors: Xiong, B., Cao, D.Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K.

Description: Brd4 Bromodomain 1 complex with its novel inhibitors