2025-05-10_00000368
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ligand
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9QOB
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 4;
X-ray diffraction 1.37Å
Protein #1
126 residues (98% resolved)
Raw Sequence ...
MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Canonical Sequence ...
MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2
A1I8D
InChI=1S/C11H9N3OS/c15-6-10-12-13-11-14(10)9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2
InChI=1S/C11H9N3OS/c15-6-10-12-13-11-14(10)9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2
SMILES: c1ccc(cc1)c2csc3n2c(nn3)CO
c1ccc(cc1)c2csc3n2c(nn3)CO
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Model
Reference
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