5d7x: Difference between revisions

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'''Unreleased structure'''


The entry 5d7x is ON HOLD until Paper Publication
==Crystal structure of the human BRPF1 bromodomain in complex with XZ08==
<StructureSection load='5d7x' size='340' side='right' caption='[[5d7x]], [[Resolution|resolution]] 1.35&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5d7x]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5D7X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5D7X FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=XZ8:4-(1-ACETYL-1H-INDOL-3-YL)-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE'>XZ8</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=5d7x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5d7x OCA], [http://pdbe.org/5d7x PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5d7x RCSB], [http://www.ebi.ac.uk/pdbsum/5d7x PDBsum]</span></td></tr>
</table>
== Function ==
[[http://www.uniprot.org/uniprot/BRPF1_HUMAN BRPF1_HUMAN]] Component of the MOZ/MORF complex which has a histone H3 acetyltransferase activity. Positively regulates the transcription of RUNX1 and RUNX2.<ref>PMID:16387653</ref> <ref>PMID:18794358</ref>  
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Small-molecule hits for the bromodomains of CREBBP and BAZ2B have been identified by scaffold hopping followed by docking of a set of approximately 200 compounds containing the acetyl indole scaffold. Chemical synthesis of nearly 30 derivatives has resulted in ligands of representatives of three subfamilies of human bromodomains with favorable ligand efficiency. The X-ray crystal structures of three different bromodomains (CREBBP, BAZ2B, and BRPF1b) in complex with acetyl indole derivatives reveal the influence of the gatekeeper residue on the orientation of small-molecule ligands in the acetyl lysine binding site.


Authors: Zhu, J., Caflisch, A.
The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.,Unzue A, Zhao H, Lolli G, Dong J, Zhu J, Zechner M, Dolbois A, Caflisch A, Nevado C J Med Chem. 2016 Apr 14;59(7):3087-97. doi: 10.1021/acs.jmedchem.5b01757. Epub, 2016 Mar 30. PMID:26982797<ref>PMID:26982797</ref>


Description: Crystal structure of the human BRPF1 bromodomain in complex with XZ08
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
<div class="pdbe-citations 5d7x" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Caflisch, A]]
[[Category: Zhu, J]]
[[Category: Zhu, J]]
[[Category: Caflisch, A]]
[[Category: Dna binding protein]]
[[Category: Inhibitor]]

Revision as of 01:55, 2 June 2016

Crystal structure of the human BRPF1 bromodomain in complex with XZ08Crystal structure of the human BRPF1 bromodomain in complex with XZ08

Structural highlights

5d7x is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum

Function

[BRPF1_HUMAN] Component of the MOZ/MORF complex which has a histone H3 acetyltransferase activity. Positively regulates the transcription of RUNX1 and RUNX2.[1] [2]

Publication Abstract from PubMed

Small-molecule hits for the bromodomains of CREBBP and BAZ2B have been identified by scaffold hopping followed by docking of a set of approximately 200 compounds containing the acetyl indole scaffold. Chemical synthesis of nearly 30 derivatives has resulted in ligands of representatives of three subfamilies of human bromodomains with favorable ligand efficiency. The X-ray crystal structures of three different bromodomains (CREBBP, BAZ2B, and BRPF1b) in complex with acetyl indole derivatives reveal the influence of the gatekeeper residue on the orientation of small-molecule ligands in the acetyl lysine binding site.

The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.,Unzue A, Zhao H, Lolli G, Dong J, Zhu J, Zechner M, Dolbois A, Caflisch A, Nevado C J Med Chem. 2016 Apr 14;59(7):3087-97. doi: 10.1021/acs.jmedchem.5b01757. Epub, 2016 Mar 30. PMID:26982797[3]

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

References

  1. ↑ Doyon Y, Cayrou C, Ullah M, Landry AJ, Cote V, Selleck W, Lane WS, Tan S, Yang XJ, Cote J. ING tumor suppressor proteins are critical regulators of chromatin acetylation required for genome expression and perpetuation. Mol Cell. 2006 Jan 6;21(1):51-64. PMID:16387653 doi:10.1016/j.molcel.2005.12.007
  2. ↑ Ullah M, Pelletier N, Xiao L, Zhao SP, Wang K, Degerny C, Tahmasebi S, Cayrou C, Doyon Y, Goh SL, Champagne N, Cote J, Yang XJ. Molecular architecture of quartet MOZ/MORF histone acetyltransferase complexes. Mol Cell Biol. 2008 Nov;28(22):6828-43. doi: 10.1128/MCB.01297-08. Epub 2008 Sep , 15. PMID:18794358 doi:10.1128/MCB.01297-08
  3. ↑ Unzue A, Zhao H, Lolli G, Dong J, Zhu J, Zechner M, Dolbois A, Caflisch A, Nevado C. The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. J Med Chem. 2016 Apr 14;59(7):3087-97. doi: 10.1021/acs.jmedchem.5b01757. Epub, 2016 Mar 30. PMID:26982797 doi:http://dx.doi.org/10.1021/acs.jmedchem.5b01757

5d7x, resolution 1.35Å

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