Curran P.R., Radoux C.J., Smilova M.D., Sykes R.A., Higueruelo A.P., et al. (2020) Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design. J. Chem. Inf. Model., 60, 4, 1911–1916 https://pubs.acs.org/doi/10.1021/acs.jcim.9b00996
Paper of the Month June
Bosc N., Muller C., Hoffer L., Lagorce D., Bourg S., et al. (2020) Fr-PPIChem: An Academic Compound Library Dedicated to Protein–Protein Interactions. ACS Chem. Biol., https://doi.org/10.1021/acschembio.0c00179
Paper of the Month – April
Sadek J., Wuo M.G., Rooklin D., Hauenstein A., Hong S.H. et al. (2020) Modulation of virus-induced NF-κB signaling by NEMO coiled coil mimics. Nat. Commun., 11, 1786 https://doi.org/10.1038/s41467-020-15576-3
Paper of the Month – March
Guéret S.M., Thavam S., Carbajo R.J., Potowski M., Larsson N., et al. (2020) Macrocyclic Modalities Combining Peptide Epitopes and Natural Product Fragments. J. Am. Chem. Soc., 142, 4904-4915 https://pubs.acs.org/doi/pdf/10.1021/jacs.0c00269
Paper of the Month – February
Testa A., Hughes S. J., Wright J. E., Ciulli A. (2020) Structure-Based Design of a Macrocyclic PROTAC. Angew. Chem. Int. Ed., 59, 1727-1734 https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201914396
Paper of the Month – January
O’Connell J., Porter J., Kroeplien B., Norman T., Rapecki S., et al. (2019) Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nature Commun., 10, 5795 https://doi.org/10.1038/s41467-019-13616-1
Paper of the Month – December
Jeganathan S., Wendt M., Kiehstaller S., Brancaccio D., Kuepper A., et al. (2019) Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly. Angew. Chem. Int. Ed. 58, 17351-17358 https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201907901
Paper of the Month – July
Achala, N. D., Hewage, P., Yao, H., Nammalwar, B., Gnanasekaran, K.K., et al. (2019) Small Molecule Inhibitors of the BfrB–Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J. Am. Chem. Soc. 141: https://pubs.acs.org/doi/10.1021/jacs.9b00394
Paper of the Month – June
Miles, J. A., Hobor, F., Taylor, J., Tiede, C., Rowell, P.R., Trinh, C. H., Jackson, B., Nadat, F., Kyle, H. F., Wicky, B. I. M., Clarke, J., Tomlinson, D. C., Wilson, A. J., Edwards, T. A. et al. (2019) Selective Affirmers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs. BioRxiv 651364; doi: 10.1101/651364 https://www.biorxiv.org/content/10.1101/651364v1
Paper of the Month – May
Frappier, V., Jenson, J. M., Zhou, J., Grigoryan, G., Keating, A. E. (2019) Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1. Structure 27: 606-617.e5 https://doi.org/10.1016/j.str.2019.01.008