Publication Beamlines Strategic Pillar
Picard, Marie-Ève; Nisole, Audrey; Béliveau, Catherine; Sen, Stephanie; Barbar, Aline et al. (2018). Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana : Implications for inhibitor design. Insect Biochemistry and Molecular Biology 92, 84-92. 10.1016/j.ibmb.2017.11.011. [PDB: 6b02, 6b04, 6b06] CMCF-ID Health
Planken, Simon; Behenna, Douglas C.; Nair, Sajiv K.; Johnson, Theodore O.; Nagata, Asako et al. (2017). Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. Journal of Medicinal Chemistry 60(7) , 3002-3019. 10.1021/acs.jmedchem.6b01894. [PDB: 5ugc] CMCF-ID Health
Pluvinage, Benjamin; Fillo, Alexander; Massel, Patricia; Boraston, Alisdair B. (2017). Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of β-1,3-Glucan Quaternary Structure. Structure 25(9) , 1348-1359.e3. 10.1016/j.str.2017.06.019. [PDB: 5t4a, 5t4c, 5t4g] CMCF-ID Health
Pluvinage, Benjamin; Grondin, Julie M.; Amundsen, Carolyn; Klassen, Leeann; Moote, Paul E. et al. (2018). Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nature Communications 9(1) . 10.1038/s41467-018-03366-x. [PDB: 5t9a, 5t9x, 5ta0, 5ta1, 5ta5, 5ta7, 5ta9] CMCF-BM, CMCF-ID Health
Pluvinage, Benjamin; Massel, Patricia M; Burak, Kristyn; Boraston, Alisdair B (2019). Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens. Glycobiology 30(1) , 49-57. 10.1093/glycob/cwz069. [PDB: 6pv4] CMCF-BM, 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
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
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
Qiu, Luping; Levine, Kymberly; Gajiwala, Ketan S.; Cronin, Ciarán N.; Nagata, Asako et al. (2018). Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE 13(6) , e0198374. 10.1371/journal.pone.0198374. [PDB: 6cz2, 6cz3] 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
Radka, Christopher D.; DeLucas, Lawrence J.; Wilson, Landon S.; Lawrenz, Matthew B.; Perry, Robert D. et al. (2017). Crystal structure ofYersinia pestisvirulence factor YfeA reveals two polyspecific metal-binding sites. Acta Crystallographica Section D: Structural Biology 73(7) , 557-572. 10.1107/s2059798317006349. [PDB: 5uy0, 5uy4, 5uy5, 5uya, 5uyb, 5uyc, 5uyd, 5uye, 5uyf] CMCF-ID Health
Radka, Christopher D.; Labiuk, Shaunivan L.; DeLucas, Lawrence J.; Aller, Stephen G. (2019). Structures of the substrate-binding protein YfeA in apo and zinc-reconstituted holo forms. Acta Crystallographica Section D: Structural Biology 75(9) . 10.1107/s2059798319010866. [PDB: 6q1d] CMCF-ID Health
Rahfeld, Peter; Sim, Lyann; Moon, Haisle; Constantinescu, Iren; Morgan-Lang, Connor et al. (2019). An enzymatic pathway in the human gut microbiome that converts A to universal O type blood. Nature Microbiology 4(9) . 10.1038/s41564-019-0469-7. [PDB: 6n1a] CMCF-ID Health
Rai, Ganesha; Brimacombe, Kyle R.; Mott, Bryan T.; Urban, Daniel J.; Hu, Xin et al. (2017). Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). Journal of Medicinal Chemistry 60(22) , 9184-9204. 10.1021/acs.jmedchem.7b00941. [PDB: 5w8h, 5w8j] CMCF-ID Health
Raman, Swetha; Beilschmidt, Melissa; To, Minh; Lin, Kevin; Lui, Francine et al. (2019). Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proceedings of the National Academy of Sciences of the United States of America 116(14) , 6812-6817. 10.1073/pnas.1817246116. [PDB: 6o39, 6o3a] CMCF-ID Health