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Structure paper

TitleTargeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
Journal, issue, pagesJ Control Release, Vol. 354, Page 80-90, Year 2023
Publish dateApr 25, 2022 (structure data deposition date)
AuthorsSethi, B. / Kumar, V. / Jayasinghe, T.D. / Dong, Y. / Ronning, D.R. / Zhong, H.A. / Coulter, D.W. / Mahato, R.I.
External linksJ Control Release / PubMed:36599397
MethodsX-ray diffraction
Resolution1.2 - 2.5 Å
Structure data

PDB-7usg:
BRD2-BD2 in complex with MDP5
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-7ush:
BRD2-BD2 in complex with SF2523
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

PDB-7usi:
BRD2-BD1 in complex with MDP5
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-7usj:
BRD4-BD2 in complex with SF2523
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-7usk:
BRD4-BD2 Ligand free
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

Chemicals

ChemComp-O6O:
(8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-82V:
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

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

ChemComp-CL:
Unknown entry

ChemComp-PGE:
TRIETHYLENE GLYCOL

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/INHIBITOR / Inhibitor / acetyllysine binding pocket / TRANSCRIPTION / TRANSCRIPTION-INHIBITOR complex / TRANSCRIPTON/INHIBITOR / TRANSCRIPTON-INHIBITOR complex

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