2025-03-08_00000059|ligand|8YME

BRD4-BD1 in complex with N-cyclohexyl-1-methyl-6-{[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxo-pyrazolo[4,3-c]pyridin-2-yl]methyl}azepan-1-ium-4-carboxamide 2,2,2-trifluoroacetate; X-ray diffraction 1.18Å
Protein #1 128 residues (99% resolved)

GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE

GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2 A1LZZ

InChI=1S/C26H37N7O2/c1-30-11-9-19(25(34)27-20-7-5-4-6-8-20)13-18(14-30)15-33-17-22-24(29-33)21(16-31(2)26(22)35)23-10-12-32(3)28-23/h10,12,16-20H,4-9,11,13-15H2,1-3H3,(H,27,34)/t18-,19-/m0/s1

Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)C[C@H]4C[C@H](CCN(C4)C)C(=O)NC5CCCCC5)C
Non polymer #3 EDO

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

C(CO)O
Download coordinates
Reference