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TitleDiscovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 21577-21616, Year 2024
Publish dateApr 18, 2024 (structure data deposition date)
AuthorsLi, J. / Hu, Q. / Zhu, R. / Dong, R. / Shen, H. / Hu, J. / Zhang, C. / Zhang, X. / Xu, T. / Xiang, Q. ...Li, J. / Hu, Q. / Zhu, R. / Dong, R. / Shen, H. / Hu, J. / Zhang, C. / Zhang, X. / Xu, T. / Xiang, Q. / Zhang, Y. / Lin, B. / Zhao, L. / Wu, X. / Xu, Y.
External linksJ. Med. Chem. / PubMed:39602227
MethodsX-ray diffraction
Resolution1.77 - 3 Å
Structure data

PDB-8z69:
Crystal Structure of the second bromodomain of human BRD2 BD2 in complex with the inhibitor Y13195
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-8zm8:
Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13221
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-8zmb:
Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13195
Method: X-RAY DIFFRACTION / Resolution: 2.79 Å

PDB-8zmq:
Crystal Structure of the second bromodomain of human BRD4 BD2 in complex with the inhibitor Y13190
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

PDB-1l0y:
T cell receptor beta chain complexed with superantigen SpeA soaked with zinc

ChemComp-FMT:
FORMIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NA:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER


PDB Unreleased entry

PDB-1l1x: SOLUTION STRUCTURE OF A CALMODULIN DIMER IN COMPLEX WITH THE CALMODULIN BINDING DOMAIN OF THE BASIC-HELIX-LOOP-HELIX TRANSCRIPTION FACTOR SEF2-1

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

ChemComp-PO4:
PHOSPHATE ION

PDB-1l12:
CONTRIBUTIONS OF HYDROGEN BONDS OF THR 157 TO THE THERMODYNAMIC STABILITY OF PHAGE T4 LYSOZYME

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / BRD2 / BD2 / Bromodomain / BRD4 / BD1

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