4lzs: Difference between revisions

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{{STRUCTURE_4lzs|  PDB=4lzs  |  SCENE=  }}
==Crystal Structure of BRD4(1) bound to inhibitor XD46==
===Crystal Structure of BRD4(1) bound to inhibitor XD46===
<StructureSection load='4lzs' size='340' side='right' caption='[[4lzs]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
{{ABSTRACT_PUBMED_24272870}}
== Structural highlights ==
 
<table><tr><td colspan='2'>[[4lzs]] 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=4LZS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4LZS FirstGlance]. <br>
==Disease==
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L46:4-ACETYL-3-ETHYL-N,5-DIMETHYL-1H-PYRROLE-2-CARBOXAMIDE'>L46</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4lyi|4lyi]], [[4lys|4lys]], [[4lyw|4lyw]], [[4lzr|4lzr]]</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=4lzs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4lzs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4lzs RCSB], [http://www.ebi.ac.uk/pdbsum/4lzs 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 ==
Bromodomains are acetyllysine epigenetic mark reader proteins. Small molecules inhibiting them have potential as anti-inflammatory, antiviral, and anticancer agents. A 4-acyl pyrrole derivative (see yellow structure in recognition pocket) has been identified that potently inhibits specific bromodomains and exhibits antiproliferative activity against leukemia cell lines.


==About this Structure==
4-acyl pyrroles: mimicking acetylated lysines in histone code reading.,Lucas X, Wohlwend D, Hugle M, Schmidtkunz K, Gerhardt S, Schule R, Jung M, Einsle O, Gunther S Angew Chem Int Ed Engl. 2013 Dec 23;52(52):14055-9. doi: 10.1002/anie.201307652. , Epub 2013 Nov 24. PMID:24272870<ref>PMID:24272870</ref>
[[4lzs]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4LZS OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
<ref group="xtra">PMID:024272870</ref><references group="xtra"/><references/>
</div>
[[Category: Einsle, O.]]
== References ==
[[Category: Gerhardt, S.]]
<references/>
[[Category: Huegle, M.]]
__TOC__
[[Category: Wohlwend, D.]]
</StructureSection>
[[Category: Human]]
[[Category: Einsle, O]]
[[Category: Gerhardt, S]]
[[Category: Huegle, M]]
[[Category: Wohlwend, D]]
[[Category: Acetylated lysine]]
[[Category: Acetylated lysine]]
[[Category: Brd4 inhibitor]]
[[Category: Brd4 inhibitor]]

Revision as of 19:23, 21 December 2014

Crystal Structure of BRD4(1) bound to inhibitor XD46Crystal Structure of BRD4(1) bound to inhibitor XD46

Structural highlights

4lzs is a 1 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Gene:BRD4, HUNK1 (HUMAN)
Resources:FirstGlance, OCA, RCSB, PDBsum

Disease

[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.[1] [2]

Function

[BRD4_HUMAN] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).

Publication Abstract from PubMed

Bromodomains are acetyllysine epigenetic mark reader proteins. Small molecules inhibiting them have potential as anti-inflammatory, antiviral, and anticancer agents. A 4-acyl pyrrole derivative (see yellow structure in recognition pocket) has been identified that potently inhibits specific bromodomains and exhibits antiproliferative activity against leukemia cell lines.

4-acyl pyrroles: mimicking acetylated lysines in histone code reading.,Lucas X, Wohlwend D, Hugle M, Schmidtkunz K, Gerhardt S, Schule R, Jung M, Einsle O, Gunther S Angew Chem Int Ed Engl. 2013 Dec 23;52(52):14055-9. doi: 10.1002/anie.201307652. , Epub 2013 Nov 24. PMID:24272870[3]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. ↑ French CA, Miyoshi I, Kubonishi I, Grier HE, Perez-Atayde AR, Fletcher JA. BRD4-NUT fusion oncogene: a novel mechanism in aggressive carcinoma. Cancer Res. 2003 Jan 15;63(2):304-7. PMID:12543779
  2. ↑ French CA, Miyoshi I, Aster JC, Kubonishi I, Kroll TG, Dal Cin P, Vargas SO, Perez-Atayde AR, Fletcher JA. BRD4 bromodomain gene rearrangement in aggressive carcinoma with translocation t(15;19). Am J Pathol. 2001 Dec;159(6):1987-92. PMID:11733348 doi:10.1016/S0002-9440(10)63049-0
  3. ↑ Lucas X, Wohlwend D, Hugle M, Schmidtkunz K, Gerhardt S, Schule R, Jung M, Einsle O, Gunther S. 4-acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew Chem Int Ed Engl. 2013 Dec 23;52(52):14055-9. doi: 10.1002/anie.201307652. , Epub 2013 Nov 24. PMID:24272870 doi:http://dx.doi.org/10.1002/anie.201307652

4lzs, resolution 2.20Å

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