2026-07-25_00000029
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ligand
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24KM
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with Nimesulide;
X-ray diffraction 1.86Å
Protein #1
128 residues (100% resolved)
Raw Sequence ...
FQMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINALPTEE
Canonical Sequence ...
FQMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINALPTEE
Non polymer #2
NIM
InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
SMILES: CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
Biounit #1
monomer
Download coordinates
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Model
Reference
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