4xy8
From Proteopedia
(Difference between revisions)
m (Protected "4xy8" [edit=sysop:move=sysop]) |
|||
| Line 1: | Line 1: | ||
| - | ''' | + | ==Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand== |
| + | <StructureSection load='4xy8' size='340' side='right' caption='[[4xy8]], [[Resolution|resolution]] 1.70Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4xy8]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XY8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XY8 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=43U:6-(5-BROMO-2-METHOXYPHENYL)-9H-PURIN-2-AMINE'>43U</scene>, <scene name='pdbligand=BR:BROMIDE+ION'>BR</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=4xy8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xy8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4xy8 RCSB], [http://www.ebi.ac.uk/pdbsum/4xy8 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [[http://www.uniprot.org/uniprot/BRD9_HUMAN BRD9_HUMAN]] May play a role in chromatin remodeling and regulation of transcription. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The 2-amine-9H-purine scaffold was identified as a weak bromodomain template and was developed via iterative structure based design into a potent nanomolar ligand for the bromodomain of human BRD9 with small residual micromolar affinity toward the bromodomain of BRD4. Binding of the lead compound 11 to the bromodomain of BRD9 results in an unprecedented rearrangement of residues forming the acetyllysine recognition site, affecting plasticity of the protein in an induced-fit pocket. The compound does not exhibit any cytotoxic effect in HEK293 cells and displaces the BRD9 bromodomain from chromatin in bioluminescence proximity assays without affecting the BRD4/histone complex. The 2-amine-9H-purine scaffold represents a novel template that can be further modified to yield highly potent and selective tool compounds to interrogate the biological role of BRD9 in diverse cellular systems. | ||
| - | + | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.,Picaud S, Strocchia M, Terracciano S, Lauro G, Mendez J, Daniels DL, Riccio R, Bifulco G, Bruno I, Filippakopoulos P J Med Chem. 2015 Mar 5. PMID:25703523<ref>PMID:25703523</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| - | + | <references/> | |
| - | [[Category: | + | __TOC__ |
| + | </StructureSection> | ||
| + | [[Category: Arrowsmith, C H]] | ||
[[Category: Bountra, C]] | [[Category: Bountra, C]] | ||
| - | [[Category: | + | [[Category: Delft, F von]] |
| - | [[Category: | + | [[Category: Edwards, A M]] |
[[Category: Filippakopoulos, P]] | [[Category: Filippakopoulos, P]] | ||
| - | [[Category: | + | [[Category: Picaud, S]] |
| - | [[Category: Structural | + | [[Category: Structural genomic]] |
| + | [[Category: Bromodomain]] | ||
| + | [[Category: Complex]] | ||
| + | [[Category: Ligand]] | ||
| + | [[Category: Sgc]] | ||
| + | [[Category: Transcription]] | ||
Revision as of 11:50, 11 March 2015
Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand
| |||||||||||
