2024-09-07_00000024
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ligand
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8QB0
Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative compound 2;
X-ray diffraction 1.45Å
Protein #1
116 residues (97% resolved)
Raw Sequence ...
SMEMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFFTMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGGAVLRQARRQAEKMG
Canonical Sequence ...
SMEMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFFTMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGGAVLRQARRQAEKMG
Non polymer #2
NO3
InChI=1S/NO3/c2-1(3)4/q-1
InChI=1S/NO3/c2-1(3)4/q-1
SMILES: [N+](=O)([O-])[O-]
[N+](=O)([O-])[O-]
Non polymer #3
Q9U
InChI=1S/C15H19N5OS/c1-7-11-8(4-15(2,3)5-10(11)21)12(18-7)9-6-22-14(19-9)20-13(16)17/h6,18H,4-5H2,1-3H3,(H4,16,17,19,20)
InChI=1S/C15H19N5OS/c1-7-11-8(4-15(2,3)5-10(11)21)12(18-7)9-6-22-14(19-9)20-13(16)17/h6,18H,4-5H2,1-3H3,(H4,16,17,19,20)
SMILES: Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CC(CC2=O)(C)C
Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CC(CC2=O)(C)C
Biounit #1
monomer
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Model
Reference
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