2024-09-07_00000321|ligand|9F1J

First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14; X-ray diffraction 1.13Å
Protein #1 126 residues (98% resolved)

MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE

MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2 A1H84

InChI=1S/C53H64N8O13/c1-35-49(36(2)74-58-35)38-11-14-42-41(33-38)56-45(60(42)21-20-59-22-27-70-28-23-59)16-10-37-8-12-39(13-9-37)72-24-4-7-46(62)54-18-25-68-29-31-71-32-30-69-26-19-55-48(64)34-73-44-6-3-5-40-50(44)53(67)61(52(40)66)43-15-17-47(63)57-51(43)65/h3,5-6,8-9,11-14,33,43H,4,7,10,15-32,34H2,1-2H3,(H,54,62)(H,55,64)(H,57,63,65)

Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OCCCC(=O)NCCOCCOCCOCCNC(=O)COc6cccc7c6C(=O)N(C7=O)C8CCC(=O)NC8=O
Non polymer #3 EDO

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

C(CO)O
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Reference