Publication Beamlines Strategic Pillar
Keylor, Mitchell H.; Gulati, Anmol; Kattar, Solomon D.; Johnson, Rebecca E.; Chau, Ryan W. et al. (2021). Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. Journal of Medicinal Chemistry 65(1) , 838-856. 10.1021/acs.jmedchem.1c01968. [PDB: 7suh] 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
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
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
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
Kallander, Lara S.; Washburn, David; Hilfiker, Mark A.; Eidam, Hilary Schenck; Lawhorn, Brian G. et al. (2018). Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Medicinal Chemistry Letters 9(7) , 736-740. 10.1021/acsmedchemlett.8b00173. [PDB: 6bsm] CMCF-ID Health
Juvvadi, Praveen R.; Fox, David; Bobay, Benjamin G.; Hoy, Michael J.; Gobeil, Sophie M. C. et al. (2019). Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nature Communications 10(1) . 10.1038/s41467-019-12199-1. [PDB: 6tz7] CMCF-ID Health
Jones, Darryl R.; McLean, Richard; Hobbs, Joanne K.; Abbott, D. Wade (2019). A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase. Journal of Structural Biology 207(3) , 279-286. 10.1016/j.jsb.2019.06.003. [PDB: 6ojk, 6ojl] CMCF-ID Health
Jha, Vikash; Ling, Hong (2018). Structural Basis for Human DNA Polymerase Kappa to Bypass Cisplatin Intrastrand Cross-Link (Pt-GG) Lesion as an Efficient and Accurate Extender. Journal of Molecular Biology 430(11) , 1577-1589. 10.1016/j.jmb.2018.04.023. [PDB: 6brx, 6bs1] CMCF-ID Health
Jenkins, Meredith L.; Margaria, Jean Piero; Stariha, Jordan T. B.; Hoffmann, Reece M.; McPhail, Jacob A. et al. (2018). Structural determinants of Rab11 activation by the guanine nucleotide exchange factor SH3BP5. Nature Communications 9(1) . 10.1038/s41467-018-06196-z. [PDB: 6djl] CMCF-ID Health
Jacques, Benoit; Coinçon, Mathieu; Sygusch, Jurgen (2018). Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases. Journal of Biological Chemistry 293(20) , 7737-7753. 10.1074/jbc.ra117.001098. [PDB: 5ucn, 5ucp, 5ucs, 5ucz, 5ud0, 5ud1, 5ud2] CMCF-BM, CMCF-ID Health
Ishizawa, Jo; Zarabi, Sarah F.; Davis, R. Eric; Halgas, Ondrej; Nii, Takenobu et al. (2019). Mitochondrial ClpP-Mediated Proteolysis Induces Selective Cancer Cell Lethality. Cancer Cell 35(5) . 10.1016/j.ccell.2019.03.014. [PDB: 6dl7] CMCF-ID Health
Ishiyama, Noboru; Sarpal, Ritu; Wood, Megan N.; Barrick, Samantha K.; Nishikawa, Tadateru et al. (2018). Force-dependent allostery of the α-catenin actin-binding domain controls adherens junction dynamics and functions. Nature Communications 9(1) . 10.1038/s41467-018-07481-7. [PDB: 6duw, 6duy, 6dv1] 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