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TitleDiscovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
Journal, issue, pagesActa Pharmacol. Sin., Vol. 46, Page 1706-1721, Year 2025
Publish dateOct 8, 2024 (structure data deposition date)
AuthorsHu, J.K. / Tang, X. / Luo, G.L. / Zhang, C. / Wu, T.B. / Wang, C. / Shen, H. / Zhao, X.F. / Wu, X.S. / Smaill, J.B. ...Hu, J.K. / Tang, X. / Luo, G.L. / Zhang, C. / Wu, T.B. / Wang, C. / Shen, H. / Zhao, X.F. / Wu, X.S. / Smaill, J.B. / Xu, Y. / Zhang, Y. / Xiang, Q.P.
External linksActa Pharmacol. Sin. / PubMed:39890943
MethodsX-ray diffraction
Resolution1.42 - 2.13 Å
Structure data

PDB-9jut:
X-ray crystal structure of Y16524 in EP300
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-9juu:
X-ray crystal structure of Y16515 in CBP
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

PDB-9juy:
X-ray crystal structure of Y16513 in CBP
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

Chemicals

PDB-1edm:
EPIDERMAL GROWTH FACTOR-LIKE DOMAIN FROM HUMAN FACTOR IX

ChemComp-HOH:
WATER

PDB-1edn:
HUMAN ENDOTHELIN-1

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

PDB-1edo:
THE X-RAY STRUCTURE OF BETA-KETO ACYL CARRIER PROTEIN REDUCTASE FROM BRASSICA NAPUS COMPLEXED WITH NADP+

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / EP300 / Bromodomain / CBP

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