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Structure paper

TitleCRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 5660-5674, Year 2022
Publish dateOct 27, 2021 (structure data deposition date)
AuthorsCarrasco, K. / Montersino, C. / Derviaux, C. / Saez-Ayala, M. / Hoffer, L. / Restouin, A. / Castellano, R. / Casassa, J. / Roche, P. / Pasquier, E. ...Carrasco, K. / Montersino, C. / Derviaux, C. / Saez-Ayala, M. / Hoffer, L. / Restouin, A. / Castellano, R. / Casassa, J. / Roche, P. / Pasquier, E. / Combes, S. / Morelli, X. / Collette, Y. / Betzi, S.
External linksJ. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution1.21 - 1.519 Å
Structure data

PDB-7q3f:
Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484
Method: X-RAY DIFFRACTION / Resolution: 1.21 Å

PDB-7q5o:
Bromodomain-containing 2 BD2 in complex with the inhibitor CRCM5484
Method: X-RAY DIFFRACTION / Resolution: 1.519 Å

Chemicals

ChemComp-8M6:
2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Epigenetic / Inhibition / Inhibitor / Selectivity / Complex / BDII

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