Publication Beamlines Strategic Pillar
Bailey-Elkin, Ben A.; Knaap, Robert C. M.; De Silva, Anuradha; Boekhoud, Ilse M.; Mous, Sandra et al. (2023). Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis. PLoS Pathogens 19(12) , e1011872. 10.1371/journal.ppat.1011872. [PDB: 8ehn] CMCF-ID Health
Cole, Andrew G.; Kultgen, Steven G.; Mani, Nagraj; Quintero, Jorge G.; Yi Fan, Kristi et al. (2023). Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorganic and Medicinal Chemistry Letters 94, 129456. 10.1016/j.bmcl.2023.129456. [PDB: 8gbu] CMCF-ID Health
Frigon, Léonie; Pascal, John M (2023). Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Research . 10.1093/nar/gkad1064. [PDB: 8sx1] CMCF-BM 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
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
Penner, Tiffany V.; Cobo, Neil Lorente; Patel, Deepak T.; Patel, Dhruvin H.; Savchenko, Alexei et al. (2023). Structural characterization of the Sel1‐like repeat protein LceB from Legionella pneumophila. Protein Science . 10.1002/pro.4889. [PDB: 8sxq] CMCF-BM Health
Rolando, Monica; Wah Chung, Ivy Yeuk; Xu, Caishuang; Gomez-Valero, Laura; England, Patrick et al. (2023). The SET and ankyrin domains of the secreted Legionella pneumophila histone methyltransferase work together to modify host chromatin. mBio 14(5) . 10.1128/mbio.01655-23. [PDB: 8swi] CMCF-BM Health
Smith, Christopher R.; Chen, Dan; Christensen, James G.; Coulombe, René; Féthière, James et al. (2023). Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. Journal of Medicinal Chemistry 67(1) , 774-781. 10.1021/acs.jmedchem.3c02140. [PDB: 8t5g, 8t5m, 8t5r] CMCF-BM, CMCF-ID Health
Thai, Elaine; Murugan, Rajagopal; Binter, Špela; Burn Aschner, Clare; Prieto, Katherine et al. (2023). Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Reports 42(11) , 113330. 10.1016/j.celrep.2023.113330. [PDB: 8fb5] CMCF-ID Health
Tokareva, Olena S.; Li, Kunhua; Travaline, Tara L.; Thomson, Ty M.; Swiecicki, Jean-Marie et al. (2023). Recognition and reprogramming of E3 ubiquitin ligase surfaces by α-helical peptides. Nature Communications 14(1) . 10.1038/s41467-023-42395-z. [PDB: 8ei4] CMCF-BM Health
Varkaris, Andreas; Pazolli, Ermira; Gunaydin, Hakan; Wang, Qi; Pierce, Levi et al. (2023). Discovery and clinical proof-of-concept of RLY-2608, a first-in-class mutant-selective allosteric PI3Ka inhibitor that decouples anti-tumor activity from hyperinsulinemia. Cancer Discovery . 10.1158/ [PDB: 8ts7] CMCF-ID Health