2026-10-31_00000750|ligand|9T16

Crystal structure of human BRD4-BD1 bromodomain in complex with compound 960; X-ray diffraction 1.31Å
Protein #1 148 residues (85% resolved)

MHHHHHHSSGVDLGTENLYFQSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE

MHHHHHHSSGVDLGTENLYFQSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2 A1JSX

InChI=1S/C21H28N2O2/c24-20-12-6-14-22(20)18-10-5-9-17(15-18)21(25)23-13-4-3-11-19(23)16-7-1-2-8-16/h5,9-10,15-16,19H,1-4,6-8,11-14H2/t19-/m0/s1

c1cc(cc(c1)N2CCCC2=O)C(=O)N3CCCC[C@H]3C4CCCC4
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 FMT

InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)

C(=O)O
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Reference