4a9i: Difference between revisions

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-[[Image:4a9i.png|left|200px]]
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+==N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one==
-The line below this paragraph, containing "STRUCTURE_4a9i", creates the "Structure Box" on the page.
+<StructureSection load='4a9i' size='340' side='right'caption='[[4a9i]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[4a9i]] is a 3 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=4A9I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4A9I FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.25&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=P9I:1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE'>P9I</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-{{STRUCTURE_4a9i|  PDB=4a9i  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4a9i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a9i OCA], [https://pdbe.org/4a9i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4a9i RCSB], [https://www.ebi.ac.uk/pdbsum/4a9i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4a9i ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/BRD2_HUMAN BRD2_HUMAN] May play a role in spermatogenesis or folliculogenesis (By similarity). Binds hyperacetylated chromatin and plays a role in the regulation of transcription, probably by chromatin remodeling. Regulates transcription of the CCND1 gene. Plays a role in nucleosome assembly.<ref>PMID:18406326</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Bromodomain-containing proteins are key epigenetic regulators of gene transcription and readers of the histone code. However, the therapeutic benefits of modulating this target class are largely unexplored due to the lack of suitable chemical probes. This article describes the generation of lead molecules for the BET bromodomains through screening a fragment set chosen using structural insights and computational approaches. Analysis of 40 BRD2/fragment X-ray complexes highlights both shared and disparate interaction features, which that may be exploited for affinity and selectivity. Six representative crystal structures are then exemplified in detail. Two of the fragments are completely new bromodomain chemotypes, and three have never before been crystallized in a bromodomain, so our results significantly extend the limited public knowledge-base of crystallographic small molecule/bromodomain interactions. Certain fragments (including paracetamol) bind in a consistent mode to different bromodomains such as CREBBP, suggesting their potential to act as generic bromodomain templates. An important implication is that the bromodomains are not only a phylogenetic family, but also a system in which chemical and structural knowledge of one bromodomain gives insights transferrable to others.
-===N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one===
+Fragment-based discovery of bromodomain inhibitors part 1: inhibitor binding modes and implications for lead discovery.,Chung CW, Dean TW, Woolven JM, Bamborough P J Med Chem. 2011 Dec 5. PMID:22136404<ref>PMID:22136404</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 4a9i" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_22136404}}, adds the Publication Abstract to the page
+*[[Bromodomain-containing protein 3D structures|Bromodomain-containing protein 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 22136404 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_22136404}}
+__TOC__
+</StructureSection>
-==About this Structure==
-[[4a9i]] is a 3 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=4A9I OCA].
-==Reference==
-<ref group="xtra">PMID:022136404</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
-[[Category: Bamborough, P.]]
+[[Category: Large Structures]]
-[[Category: Chung, C W.]]
+[[Category: Bamborough P]]
-[[Category: Epigenetic reader]]
+[[Category: Chung CW]]
-[[Category: Histone]]
-[[Category: Inhibitor]]
-[[Category: Signaling protein]]