2026-06-13_00000123
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ligand
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9P34
Crystal structure of the Bromo domain 1 in human Bromodomain Containing Protein 4 with a compound;
X-ray diffraction 0.99Å
Protein #1
124 residues (100% resolved)
Raw Sequence ...
SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELP
Canonical Sequence ...
SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELP
Non polymer #2
A1CGY
InChI=1S/C29H30F3N5O/c1-17(2)20-5-4-18(3)25(14-20)38-28-34-13-12-24(36-28)27-26(19-6-8-21(9-7-19)29(30,31)32)35-16-37(27)23-11-10-22(33)15-23/h4-9,12-14,16-17,22-23H,10-11,15,33H2,1-3H3/t22-,23+/m1/s1
InChI=1S/C29H30F3N5O/c1-17(2)20-5-4-18(3)25(14-20)38-28-34-13-12-24(36-28)27-26(19-6-8-21(9-7-19)29(30,31)32)35-16-37(27)23-11-10-22(33)15-23/h4-9,12-14,16-17,22-23H,10-11,15,33H2,1-3H3/t22-,23+/m1/s1
SMILES: Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@H]4CC[C@H](C4)N)c5ccc(cc5)C(F)(F)F)C(C)C
Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@H]4CC[C@H](C4)N)c5ccc(cc5)C(F)(F)F)C(C)C
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
Download coordinates
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Model
Reference
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