Publication Beamlines Strategic Pillar
Rathinaswamy, Manoj K; Gaieb, Zied; Fleming, Kaelin D; Borsari, Chiara; Harris, Noah J et al. (2021). Disease-related mutations in PI3Kγ disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. eLife 10. 10.7554/elife.64691. [PDB: 7jwe, 7jwz, 7jx0] CMCF-ID Health
Rasool, Shafqat; Veyron, Simon; Soya, Naoto; Eldeeb, Mohamed A.; Lukacs, Gergely L. et al. (2022). Mechanism of PINK1 activation by autophosphorylation and insights into assembly on the TOM complex. Molecular Cell 82(1) , 44-59. 10.1016/j.molcel.2021.11.012. CMCF-ID Health
Quiroz, Ryan V.; Reutershan, Michael H.; Schneider, Sebastian E.; Sloman, David; Lacey, Brian M. et al. (2021). The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. Journal of Medicinal Chemistry 64(7) , 3911-3939. 10.1021/acs.jmedchem.0c02083. [PDB: 7kib] CMCF-ID Health
Puumala, Emily; Sychantha, David; Lach, Elizabeth; Reeves, Shawn; Nabeela, Sunna et al. (2024). Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-β-thiophenylacrylamides exerts highly selective antifungal activity. Cell Chemical Biology . 10.1016/j.chembiol.2024.01.010. [PDB: 8uk6] CMCF-ID Health
Prasertanan, Theerawat; Palmer, David R.J.; Sanders, David A.R. (2021). Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85. Journal of Structural Biology 213(2) , 107744. 10.1016/j.jsb.2021.107744. [PDB: 7kz3, 7kz5, 7kz6, 7kzd] CMCF-ID Health
Poullennec, Karine G.; Jnoff, Eric; Abendroth, Jan; Bhuma, Naresh; Calmiano, Mark et al. (2024). Discovery of UCB9386: A Potent, Selective, and Brain-Penetrant Nuak1 Inhibitor Suitable for In Vivo Pharmacological Studies. Journal of Medicinal Chemistry 67(23) , 20879-20910. 10.1021/acs.jmedchem.4c01237. [PDB: 8uoj] CMCF-ID Health
Perez-Bermejo, Juan A.; Efagene, Oghene; Matern, William M.; Holden, Jeffrey K.; Kabir, Shaheen et al. (2024). Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nature Communications 15(1) . 10.1038/s41467-024-46816-5. [PDB: 8svg, 8svh, 8svi] CMCF-ID Health
Parcella, Kyle; Wang, Tao; Eastman, Kyle; Zhang, Zhongxing; Yin, Zhiwei et al. (2022). Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor. ACS Medicinal Chemistry Letters 13(6) , 972-980. 10.1021/acsmedchemlett.2c00115. [PDB: 7uoq] CMCF-ID Health
Nilvebrant, Johan; Ereño-Orbea, June; Gorelik, Maryna; Julian, Mark C.; Tessier, Peter M. et al. (2021). Systematic Engineering of Optimized Autonomous Heavy-Chain Variable Domains. Journal of Molecular Biology 433(21) , 167241. 10.1016/j.jmb.2021.167241. [PDB: 7ooi] CMCF-ID Health
Nguyen, Peter; Eshaque, Rony; Garland, Barbara Anne; Dang, Anthony; Suits, Michael D. L. et al. (2022). Degradation of chondroitin sulfate A by a PUL-like operon in Tannerella forsythia. PLoS ONE 17(9) , e0272904. 10.1371/journal.pone.0272904. [PDB: 8di0, 8di1] CMCF-BM, CMCF-ID Health
Nasu, Yusuke; Murphy-Royal, Ciaran; Wen, Yurong; Haidey, Jordan N.; Molina, Rosana S. et al. (2021). A genetically encoded fluorescent biosensor for extracellular l-lactate. Nature Communications 12(1) . 10.1038/s41467-021-27332-2. [PDB: 7e9y] CMCF-ID Health
Nakhla, Mina C.; Comita, Janelle; Shapiro, Adam B.; Moussa, Samir H.; Chen, April et al. (2025). Small molecule inhibitors of mannan-binding lectin-associated serine Proteases-2 and-3. European Journal of Medicinal Chemistry 289, 117238. 10.1016/j.ejmech.2025.117238. [PDB: 9d17, 9d3y, 9d40, 9d4d] CMCF-ID Health
Naineni, Sai Kiran; Liang, Jason; Hull, Kenneth; Cencic, Regina; Zhu, Mingzhao et al. (2021). Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A. Cell Chemical Biology 28(6) . 10.1016/j.chembiol.2020.12.006. [PDB: 6xki] CMCF-ID Health
Naidu, B. Narasimhulu; Patel, Manoj; McAuliffe, Brian; Ding, Bo; Cianci, Christopher et al. (2022). Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs. Journal of Medicinal Chemistry 65(6) , 4949-4971. 10.1021/acs.jmedchem.1c02169. [PDB: 7t9o] CMCF-ID Health
Mulligan, Vikram Khipple; Workman, Sean; Sun, Tianjun; Rettie, Stephen; Li, Xinting et al. (2021). Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1. Proceedings of the National Academy of Sciences of the United States of America 118(12) , e2012800118. 10.1073/pnas.2012800118. [PDB: 6xbe, 6xbf] CMCF-ID Health