5wuu - Revision history

OCA at 07:48, 22 November 2023

OCA — Wed, 22 Nov 2023 07:48:46 GMT

←Older revision		Revision as of 07:48, 22 November 2023
Line 3:		Line 3:
	<StructureSection load='5wuu' size='340' side='right'caption='[[5wuu]], [[Resolution\|resolution]] 1.72Å' scene=''>		<StructureSection load='5wuu' size='340' side='right'caption='[[5wuu]], [[Resolution\|resolution]] 1.72Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5wuu]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WUU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5WUU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5wuu]] 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=5WUU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WUU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7UU:~{N}-METHYL-~{N}-[3-[(2-OXIDANYLIDENECHROMEN-4-YL)AMINO]PROPYL]THIOPHENE-2-CARBOXAMIDE'>7UU</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]] 1.724Å</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5wuu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wuu OCA], [~~http~~://pdbe.org/5wuu PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5wuu RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5wuu PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5wuu ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7UU:~{N}-METHYL-~{N}-[3-[(2-OXIDANYLIDENECHROMEN-4-YL)AMINO]PROPYL]THIOPHENE-2-CARBOXAMIDE'>7UU</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=5wuu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wuu OCA], [https://pdbe.org/5wuu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5wuu RCSB], [https://www.ebi.ac.uk/pdbsum/5wuu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5wuu 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 27:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Sun~~, Z Y~~]]	+	[[Category: Sun ZY]]
-	[[Category: Zhang, H]]	+	[[Category: Zhang H]]
-	~~[[Category: Brd4]]~~	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Transcription~~]]	+

OCA at 07:17, 7 October 2020

OCA — Wed, 07 Oct 2020 07:17:48 GMT

←Older revision		Revision as of 07:17, 7 October 2020
Line 1:		Line 1:

	==Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring==		==Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring==
-	<StructureSection load='5wuu' size='340' side='right' caption='[[5wuu]], [[Resolution\|resolution]] 1.72Å' scene=''>	+	<StructureSection load='5wuu' size='340' side='right'caption='[[5wuu]], [[Resolution\|resolution]] 1.72Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5wuu]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WUU OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5WUU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5wuu]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WUU OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5WUU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7UU:~{N}-METHYL-~{N}-[3-[(2-OXIDANYLIDENECHROMEN-4-YL)AMINO]PROPYL]THIOPHENE-2-CARBOXAMIDE'>7UU</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7UU:~{N}-METHYL-~{N}-[3-[(2-OXIDANYLIDENECHROMEN-4-YL)AMINO]PROPYL]THIOPHENE-2-CARBOXAMIDE'>7UU</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=5wuu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wuu OCA], [http://pdbe.org/5wuu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wuu RCSB], [http://www.ebi.ac.uk/pdbsum/5wuu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wuu ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5wuu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wuu OCA], [http://pdbe.org/5wuu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wuu RCSB], [http://www.ebi.ac.uk/pdbsum/5wuu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wuu ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 5wuu" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5wuu" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Bromodomain-containing protein 3D structures\|Bromodomain-containing protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Sun, Z Y]]		[[Category: Sun, Z Y]]
	[[Category: Zhang, H]]		[[Category: Zhang, H]]

OCA at 11:38, 12 April 2017

OCA — Wed, 12 Apr 2017 11:38:07 GMT

←Older revision		Revision as of 11:38, 12 April 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5wuu is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring==
		+	<StructureSection load='5wuu' size='340' side='right' caption='[[5wuu]], [[Resolution\|resolution]] 1.72Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5wuu]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WUU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WUU FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7UU:~{N}-METHYL-~{N}-[3-[(2-OXIDANYLIDENECHROMEN-4-YL)AMINO]PROPYL]THIOPHENE-2-CARBOXAMIDE'>7UU</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=5wuu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wuu OCA], [http://pdbe.org/5wuu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wuu RCSB], [http://www.ebi.ac.uk/pdbsum/5wuu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wuu ProSAT]</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 ==
		+	As an epigenetic reader, BRD4 regulates the transcription of important downstream genes that are essential for the survival of tumor cells. Small molecular inhibitors targeting the first bromodomain of BRD4 (BRD4-BD1) have showed promising potentials in the therapies of BRD4-related cancers. Through AlphaScreen-based high-throughput screening assay, a novel small molecular inhibitor was identified, and named DCBD-005, which inhibited the binding between BRD4-BD1 and acetylated lysines with an IC50 value of 0.81+/-0.03muM. The compound DCBD-005 effectively inhibited the viability, caused cell cycle arrest, and induced apoptosis in human leukemia MV4-11 cells. Moreover, the crystal structure of compound DCBD-005 with the BRD4-BD1 was determined at 1.72A resolution, which revealed the binding mechanism of the leading compound, and also provided solid basis for further structure-based optimization. These results indicated that this novel BRD4-BD1 inhibitor DCBD-005 is promising to be developed into a drug candidate in the treatment of BRD4-related diseases.

-	~~Authors: Zhang~~, H., Sun, Z.Y.	+	Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.,Sun Z, Zhang H, Chen Z, Xie Y, Jiang H, Chen L, Ding H, Zhang Y, Jiang H, Zheng M, Luo C Bioorg Med Chem Lett. 2017 May 1;27(9):2003-2009. doi:, 10.1016/j.bmcl.2017.03.012. Epub 2017 Mar 9. PMID:28347667<ref>PMID:28347667</ref>

-	~~Description: Complex structure~~ of the ~~first bromodomain~~ of ~~BRD4 with an inhibitor that containing a 2H~~-~~chromen~~-~~2-one ring~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5wuu" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Sun, Z Y]]
	[[Category: Zhang, H]]		[[Category: Zhang, H]]
-	[[Category: ~~Sun, Z.Y~~]]	+	[[Category: Brd4]]
		+	[[Category: Complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transcription]]

OCA at 12:00, 5 April 2017

OCA — Wed, 05 Apr 2017 12:00:57 GMT

←Older revision		Revision as of 12:00, 5 April 2017
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5wuu is ON HOLD	+	The entry 5wuu is ON HOLD until Paper Publication

	Authors: Zhang, H., Sun, Z.Y.		Authors: Zhang, H., Sun, Z.Y.

OCA at 15:54, 4 January 2017

OCA — Wed, 04 Jan 2017 15:54:06 GMT

←Older revision		Revision as of 15:54, 4 January 2017
Line 5:		Line 5:
	Authors: Zhang, H., Sun, Z.Y.		Authors: Zhang, H., Sun, Z.Y.

-	Description: ~~complex~~ structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring	+	Description: Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Zhang, H]]		[[Category: Zhang, H]]
	[[Category: Sun, Z.Y]]		[[Category: Sun, Z.Y]]

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

OCA — Mon, 02 Jan 2017 15:30:25 GMT

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

←Older revision

Revision as of 15:30, 2 January 2017

OCA: New page: '''Unreleased structure''' The entry 5wuu is ON HOLD Authors: Zhang, H., Sun, Z.Y. Description: complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2...

OCA — Mon, 02 Jan 2017 15:30:24 GMT

New page: '''Unreleased structure''' The entry 5wuu is ON HOLD Authors: Zhang, H., Sun, Z.Y. Description: complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2...

New page

'''Unreleased structure'''

The entry 5wuu is ON HOLD

Authors: Zhang, H., Sun, Z.Y.

Description: complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
[[Category: Unreleased Structures]]
[[Category: Zhang, H]]
[[Category: Sun, Z.Y]]