2025-03-08_00000063
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ligand
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8YMI
BRD4-BD1 in complex with 2-{[(3S)-1-benzylpyrrolidin-3-yl]methyl}-5-methyl-7-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-one;
X-ray diffraction 1.01Å
Protein #1
128 residues (98% resolved)
Raw Sequence ...
GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Canonical Sequence ...
GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2
A1LZF
InChI=1S/C23H26N6O/c1-26-15-19(21-9-10-27(2)24-21)22-20(23(26)30)16-29(25-22)14-18-8-11-28(13-18)12-17-6-4-3-5-7-17/h3-7,9-10,15-16,18H,8,11-14H2,1-2H3/t18-/m0/s1
InChI=1S/C23H26N6O/c1-26-15-19(21-9-10-27(2)24-21)22-20(23(26)30)16-29(25-22)14-18-8-11-28(13-18)12-17-6-4-3-5-7-17/h3-7,9-10,15-16,18H,8,11-14H2,1-2H3/t18-/m0/s1
SMILES: Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)C[C@H]4CCN(C4)Cc5ccccc5)C
Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)C[C@H]4CCN(C4)Cc5ccccc5)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
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Model
Reference
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