BRD4-BD1 in complex with 7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonyl-4-piperidyl)methyl]pyrazolo[4,3-c]pyridin-4-one. Determined by X-ray diffraction at 1.01 Å resolution. Released 12 Mar 2025.
Explore 8YMF in 3D Show helices and sheets RCSB PDB PDBe
8YMF contains 10 α-helices and 0 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 45-49 | 5 | |
| α-helix | 61-65 | 5 | |
| α-helix | 66-71 | 6 | |
| α-helix | 72-75 | 4 | |
| α-helix | 81-83 | 3 | |
| α-helix | 89-92 | 4 | |
| α-helix | 97-100 | 4 | |
| α-helix | 107-115 | 9 | |
| α-helix | 122-139 | 18 | |
| α-helix | 145-162 | 18 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | A | protein | 128 | Homo sapiens | O60885 (AlphaFold model) |
>8YMF_1 Bromodomain-containing protein 4 (chains A) GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKI IKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQK INELPTEE
| ID | Name | Formula | Copies |
|---|---|---|---|
| A1LZB | 7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)me… | C24 H30 N4 O4 S | 1 |
Discovery of a potent, orally available pyrazolopyridone derivative as a novel selective BET BD1 Inhibitor (Part 2). Hagihara, S., Ishizawa, K., Soga, K. et al. To be published.
Other PDB entries of the same protein (UniProt O60885 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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