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Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers
[Image: see text] Small molecule ligand binding to the ATAD2 bromodomain is investigated here through the synergistic combination of molecular dynamics and protein crystallography. A previously unexplored conformation of the binding pocket upon rearrangement of the gatekeeper residue Ile1074 has bee...
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| Publicado no: | ACS Med Chem Lett |
|---|---|
| Main Authors: | , , , , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2020
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7429973/ https://ncbi.nlm.nih.gov/pubmed/32832026 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsmedchemlett.0c00080 |
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