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Structure paper

TitleCrystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Journal, issue, pagesTO BE PUBLISHED
Publish dateNov 26, 2013 (structure data deposition date)
AuthorsFilippakopoulos, P. / Picaud, S. / Felletar, I. / Hay, D. / Fedorov, O. / Martin, S. / Krojer, T. / Nowak, R. / von Delft, F. / Brennan, P. ...Filippakopoulos, P. / Picaud, S. / Felletar, I. / Hay, D. / Fedorov, O. / Martin, S. / Krojer, T. / Nowak, R. / von Delft, F. / Brennan, P. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Knapp, S.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.2 - 1.69 Å
Structure data

PDB-4nr4:
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-4nr5:
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-4nr7:
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

Chemicals

ChemComp-2LK:
1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-2LL:
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole

ChemComp-NO3:
NITRATE ION

ChemComp-2LO:
2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/INHIBITOR / Structural Genomics Consortium / SGC / chemical tool / small molecule inhibitor / transcription / TRANSCRIPTION-INHIBITOR complex / TRANSFERASE

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