Publication Beamlines Strategic Pillar
He, Liqi; Zhang, Meng Yao; Cox, Matthew; Zhang, Qian; Donnell, Andrew F. et al. (2024). Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology. ACS Medicinal Chemistry Letters 15(2) , 189-196. 10.1021/acsmedchemlett.3c00456. [PDB: 8s9h] CMCF-ID Health
Hsiao, Yi-Chun; Wallweber, Heidi Ackerly; Alberstein, Robert G.; Lin, Zhonghua; Du, Changchun et al. (2024). Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining. Nature Communications 15(1) . 10.1038/s41467-024-52442-y. [PDB: 8t59] CMCF-ID Health
Ide, Danilo; Gorelik, Alexei; Illes, Katalin; Nagar, Bhushan (2024). Structural Analysis of Mammalian Sialic Acid Esterase. Journal of Molecular Biology 436(22) , 168801. 10.1016/j.jmb.2024.168801. [PDB: 8f9o] CMCF-ID Health
Ireland, Kendra A.; Kayrouz, Chase M.; Abbott, Marissa L.; Seyedsayamdost, Mohammad R.; Davis, Katherine M. et al. (2025). Structural and functional analysis of SAM-dependent N-methyltransferases involved in ovoselenol and ovothiol biosynthesis. Structure . 10.1016/j.str.2024.12.020. CMCF-ID Health
Ireland, Kendra A.; Kayrouz, Chase M.; Abbott, Marissa L.; Seyedsayamdost, Mohammad R.; Davis, Katherine M. et al. (2024). Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA. Structure . 10.1016/j.str.2024.08.006. [PDB: 8vig, 8vih] CMCF-ID Health
Kalliokoski, Tuomo; Kettunen, Henna; Kumpulainen, Esa; Kettunen, Emilia; Thieulin-Pardo, Gabriel et al. (2023). Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorganic and Medicinal Chemistry Letters 94, 129450. 10.1016/j.bmcl.2023.129450. [PDB: 8p1t, 8p1v] CMCF-ID Health
Kassardjian, Audrey; Ivanochko, Danton; Barber, Brian; Jetha, Arif; Julien, Jean-Philippe et al. (2024). Humanization of Pan-HLA-DR mAb 44H10 Hinges on Critical Residues in the Antibody Framework. Antibodies 13(3) , 57. 10.3390/antib13030057. [PDB: 9b7b] CMCF-ID Health
Kattar, Solomon D.; Gulati, Anmol; Margrey, Kaila A.; Keylor, Mitchell H.; Ardolino, Michael et al. (2023). Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson’s Disease. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.3c01486. [PDB: 8six] CMCF-ID Health
Ketcham, John M.; Harwood, Stephen J.; Aranda, Ruth; Aloiau, Athenea N.; Bobek, Briana M. et al. (2024). Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.4c00078. [PDB: 8v8h] CMCF-ID Health
Kinzel, Olaf; Goldberg, Steven D.; Cummings, Maxwell D.; Gege, Christian; Steeneck, Christoph et al. (2025). Identification of JNJ-61803534, a RORγt Inverse Agonist for the Treatment of Psoriasis. Journal of Medicinal Chemistry 68(8) , 8713-8728. 10.1021/acs.jmedchem.5c00390. [PDB: 9n9l] CMCF-ID Health
Li, Franco K. K.; Worrall, Liam J.; Gale, Robert T.; Brown, Eric D.; Strynadka, Natalie C. J. et al. (2024). Cryo-EM analysis of S. aureus TarL, a polymerase in wall teichoic acid biogenesis central to virulence and antibiotic resistance. Science Advances 10(9) . 10.1126/sciadv.adj3864. [PDB: 8v33] CMCF-ID Health
Mahbub, Luba; Kozlov, Guennadi; Knorn, Caroline; Gehring, Kalle (2025). Structure of the phosphocysteine intermediate of the phosphatase of regenerating liver PTP4A1. Journal of Biological Chemistry , 110251. 10.1016/j.jbc.2025.110251. [PDB: 9mex] CMCF-ID Health
Mathieu, Sophie; Touvrey, Mélanie; Poulet, Laurent; Drouillard, Sophie; Ulaganathan, Thirumalai Selvi et al. (2023). The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations. Computerized Medical Imaging and Graphics . 10.1101/2023.03.30.534863. [PDB: 8ep4, 8ew1] CMCF-ID Health
Mendez, Alex; Bolling, Cydni; Taylor, Shane; Makumire, Stanley; Staker, Bart et al. (2025). Structure of Plasmodium vivax N-myristoyltransferase with inhibitor IMP-1088: exploring an NMT inhibitor for antimalarial therapy. Acta Crystallographica Section F:Structural Biology Communications 81(1) , 1-10. 10.1107/s2053230x24011348. [PDB: 5v0w] CMCF-ID Health
Michino, Mayako; Beautrait, Alexandre; Boyles, Nicholas A.; Nadupalli, Aparna; Dementiev, Alexey et al. (2023). Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors. ACS Bio and Med Chem Au 3(6) , 507-515. 10.1021/acsbiomedchemau.3c00046. [PDB: 8u0q] CMCF-ID Health