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-Structure paper
Title | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). |
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Journal, issue, pages | ACS Cent Sci, Vol. 4, Page 180-188, Year 2018 |
Publish date | Apr 4, 2017 (structure data deposition date) |
Authors | Batiste, L. / Unzue, A. / Dolbois, A. / Hassler, F. / Wang, X. / Deerain, N. / Zhu, J. / Spiliotopoulos, D. / Nevado, C. / Caflisch, A. |
External links | ACS Cent Sci / PubMed:29532017 |
Methods | X-ray diffraction |
Resolution | 1.5 - 1.95 Å |
Structure data | PDB-5nlk: PDB-5ovb: PDB-5owm: PDB-5oww: |
Chemicals | ChemComp-92E: ChemComp-HOH: ChemComp-AY2: ChemComp-B0N: ChemComp-B0Q: |
Source |
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Keywords | TRANSFERASE / Inhibitor / Bromodomain / DNA BINDING PROTEIN / BRD4 bromodomain 1(BRP4(1)) |