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TitleOptimization of Potent ATAD2 and CECR2 Bromodomain Inhibitors with an Atypical Binding Mode.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 5212-5241, Year 2020
Publish dateMar 15, 2020 (structure data deposition date)
AuthorsLucas, S.C.C. / Atkinson, S.J. / Bamborough, P. / Barnett, H. / Chung, C.W. / Gordon, L. / Mitchell, D.J. / Phillipou, A. / Prinjha, R.K. / Sheppard, R.J. ...Lucas, S.C.C. / Atkinson, S.J. / Bamborough, P. / Barnett, H. / Chung, C.W. / Gordon, L. / Mitchell, D.J. / Phillipou, A. / Prinjha, R.K. / Sheppard, R.J. / Tomkinson, N.C.O. / Watson, R.J. / Demont, E.H.
External linksJ. Med. Chem. / PubMed:32321240
MethodsX-ray diffraction
Resolution1.85 Å
Structure data

PDB-6yb4:
Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-(3-methylpyrrolidin-1-yl)sulfonyl)phenyl)-2-(-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-OJH:
~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / INHIBITOR / ATAD2 / BROMODOMAIN / EPIGENETICS / ATPase family AAA domain-containing protein 2

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