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Structure paper

TitleIdentifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Journal, issue, pagesBiorxiv, Year 2018
Publish dateMar 29, 2018 (structure data deposition date)
AuthorsTalon, R.P.H. / Bowkett, D. / Tallant, C. / Schofield, C. / von Delft, F. / Knapp, S. / Bruton, G. / Brennan, P.E.
External linksBiorxiv / Search PubMed
MethodsX-ray diffraction
Resolution1.35 - 1.765 Å
Structure data

PDB-6g5n:
Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
Method: X-RAY DIFFRACTION / Resolution: 1.765 Å

PDB-6g5p:
Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ENK:
(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-EN8:
(2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / FRAGMENT SCREENING / EPIGENETICS / BROMODOMAIN / STRUCTURAL GENOMICS CONSORTIUM / SGC / XCHEM / DIAMOND I04-1 / PANDDA / XCHEMEXPLORER

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