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TitlePositional isomers of Indolyl-benzodiazepines display dissimilar binding and recruitment of BET transcriptional regulators to targeted genomic loci.
Journal, issue, pagesBioorg. Chem., Vol. 164, Page 108813-108813, Year 2025
Publish dateOct 6, 2023 (structure data deposition date)
AuthorsChowdhury, N. / Nithianantham, S. / Dey, S. / Mohammed, R. / Mohammed, A. / Churion, K. / Lang, W. / Young, S. / Philips, S.J. / Das, S. ...Chowdhury, N. / Nithianantham, S. / Dey, S. / Mohammed, R. / Mohammed, A. / Churion, K. / Lang, W. / Young, S. / Philips, S.J. / Das, S. / Ray, B. / Shelat, A. / Fischer, M. / Ansari, A.Z. / Jaisankar, P.
External linksBioorg. Chem. / PubMed:40774106
MethodsX-ray diffraction
Resolution1.99 - 3.2 Å
Structure data

PDB-8ugu:
Crystal structure of the second bromodomain of human BRD2 in complex with 4IND
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

PDB-8ugv:
Crystal structure of the second bromodomain of human BRD2 in complex with 6IND
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-9d5o:
Crystal structure of the second bromodomain of human BRD2 in complex with 3IND
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-59E:
methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-WNX:
Unknown entry

PDB-1a12:
REGULATOR OF CHROMOSOME CONDENSATION (RCC1) OF HUMAN

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / BRD2 / BROMODOMAIN / BROMODOMAIN INHIBITOR / TRANSCRIPTION FACTOR

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