2025-03-15_00000055|ligand|8V92

BRD4 BD1 liganded with macrocyclic compound 2b (JJ-II-352A); X-ray diffraction 1.27Å
Protein #1 127 residues (100% resolved)

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2 A1AAL

InChI=1S/C27H27N3O6/c1-3-30-24-23(25(31)29-27(30)33)22-18-10-5-7-12-20(18)35-14-8-13-34-19-11-6-4-9-17(19)15-36-26(32)21(22)16(2)28-24/h4-7,9-12,22,28H,3,8,13-15H2,1-2H3,(H,29,31,33)/t22-/m1/s1

CCN1C2=C([C@@H]3c4ccccc4OCCCOc5ccccc5COC(=O)C3=C(N2)C)C(=O)NC1=O
Non polymer #3 EDO

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

C(CO)O
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Reference