4lzs

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==Crystal Structure of BRD4(1) bound to inhibitor XD46==
==Crystal Structure of BRD4(1) bound to inhibitor XD46==
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<StructureSection load='4lzs' size='340' side='right' caption='[[4lzs]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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<StructureSection load='4lzs' size='340' side='right'caption='[[4lzs]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<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>
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<table><tr><td colspan='2'>[[4lzs]] 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=4LZS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4LZS FirstGlance]. <br>
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</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>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
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<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>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=L46:4-ACETYL-3-ETHYL-N,5-DIMETHYL-1H-PYRROLE-2-CARBOXAMIDE'>L46</scene></td></tr>
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<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>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4lzs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4lzs OCA], [https://pdbe.org/4lzs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4lzs RCSB], [https://www.ebi.ac.uk/pdbsum/4lzs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4lzs ProSAT]</span></td></tr>
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<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>
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</table>
</table>
== Disease ==
== Disease ==
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[[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>
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[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 ==
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[[http://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN]] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
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[https://www.uniprot.org/uniprot/BRD4_HUMAN BRD4_HUMAN] Plays a role in a process governing chromosomal dynamics during mitosis (By similarity).
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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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>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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==See Also==
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</div>
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*[[Bromodomain-containing protein 3D structures|Bromodomain-containing protein 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Einsle, O]]
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[[Category: Large Structures]]
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[[Category: Gerhardt, S]]
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[[Category: Einsle O]]
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[[Category: Huegle, M]]
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[[Category: Gerhardt S]]
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[[Category: Wohlwend, D]]
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[[Category: Huegle M]]
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[[Category: Acetylated lysine]]
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[[Category: Wohlwend D]]
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[[Category: Brd4 inhibitor]]
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[[Category: Bromodomain]]
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[[Category: Epigenetic reader protein]]
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[[Category: Histone tail]]
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[[Category: Nucleus]]
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[[Category: Protein binding-inhibitor complex]]
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Current revision

Crystal Structure of BRD4(1) bound to inhibitor XD46

PDB ID 4lzs

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