5HCL
Crystal Structure of the first bromodomain of BRD4 in complex with DMA
Summary for 5HCL
| Entry DOI | 10.2210/pdb5hcl/pdb |
| Descriptor | Bromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide, 1,2-ETHANEDIOL, ... (4 entities in total) |
| Functional Keywords | transcription-transcription inhibitor complex, transcription/transcription inhibitor |
| Biological source | Homo sapiens (Human) |
| Cellular location | Nucleus: O60885 |
| Total number of polymer chains | 1 |
| Total formula weight | 15248.57 |
| Authors | Dong, J.,Weber, F.E.,Caflisch, A. (deposition date: 2016-01-04, release date: 2017-01-25, Last modification date: 2024-01-10) |
| Primary citation | Ghayor, C.,Gjoksi, B.,Dong, J.,Siegenthaler, B.,Caflisch, A.,Weber, F.E. N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment. Sci Rep, 7:42108-42108, 2017 Cited by PubMed Abstract: N,N-Dimethylacetamide (DMA) is a water-miscible solvent, FDA approved as excipient and therefore widely used as drug-delivery vehicle. As such, DMA should be devoid of any bioactivity. Here we report that DMA is epigenetically active since it binds bromodomains and inhibits osteoclastogenesis and inflammation. Moreover, DMA enhances bone regeneration in vivo. Therefore, our in vivo and in vitro data reveal DMA's potential as an anti-osteoporotic agent via the inhibition of osteoclast mediated bone resorption and enhanced bone regeneration. Our results highlight the potential therapeutic benefits of DMA and the need for reconsideration of previous reports where DMA was used as an 'inactive' drug-delivery vehicle. PubMed: 28176838DOI: 10.1038/srep42108 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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