2026-08-01_00000210
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ligand
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32PP
CRYSTAL STRUCTURE OF BRD4 BD1 IN COMPLEX WITH Compound 9;
X-ray diffraction 1.44Å
Protein #1
127 residues (98% resolved)
Raw Sequence ...
SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Canonical Sequence ...
SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2
A1KEP
InChI=1S/C14H16N6/c1-10-8-13(18-20-11(2)16-17-14(10)20)19(3)9-12-6-4-5-7-15-12/h4-8H,9H2,1-3H3
InChI=1S/C14H16N6/c1-10-8-13(18-20-11(2)16-17-14(10)20)19(3)9-12-6-4-5-7-15-12/h4-8H,9H2,1-3H3
SMILES: Cc1cc(nn2c1nnc2C)N(C)Cc3ccccn3
Cc1cc(nn2c1nnc2C)N(C)Cc3ccccn3
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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