Publication Beamlines Strategic Pillar
Yang, Zemin; Johnson, Bryan A.; Meliopoulos, Victoria A.; Ju, Xiaohui; Zhang, Peipei et al. (2023). Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication. npj Computational Materials . 10.1101/2023.06.29.546885. [PDB: 8th7] CMCF-ID 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
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
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
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 . 10.1158/2159-8290.cd-23-0944. [PDB: 8ts7] 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
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
Chew, Kylie S.; Wells, Robert C.; Moshkforoush, Arash; Chan, Darren; Lechtenberg, Kendra J. et al. (2023). CD98hc is a target for brain delivery of biotherapeutics. Nature Communications 14(1) . 10.1038/s41467-023-40681-4. [PDB: 8g0m] 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
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
Shen, Yi; Wen, Yurong; Sposini, Silvia; Vishwanath, Anjali Amrapali; Abdelfattah, Ahmed S. et al. (2023). Rational Engineering of an Improved Genetically Encoded pH Sensor Based on Superecliptic pHluorin. ACS Sensors . 10.1021/acssensors.3c00484. [PDB: 7yv3, 7yv5] CMCF-ID Health
Hallett, Robin M.; Bonfill-Teixidor, Ester; Iurlaro, Raffaella; Arias, Alexandra; Raman, Swetha et al. (2022). Therapeutic Targeting of LIF Overcomes Macrophage-mediated Immunosuppression of the Local Tumor Microenvironment. Clinical Cancer Research 29(4) , 791-804. 10.1158/1078-0432.ccr-21-1888. CMCF-ID Agriculture
Richardson-Sanchez, Tomas; Chan, Anson C. K.; Sabatino, Brendil; Lin, Helen; Gaynor, Erin C. et al. (2023). Dissecting components of theCampylobacter jejuni fetMP-fetABCDEFgene cluster in iron scavenging. Tribology Letters . 10.1101/2023.07.05.547857. [PDB: 8t4c] CMCF-ID Health
Chen, Meixia; Wang, Zhuowen; Li, Weiguo; Chen, Yichang; Xiao, Qin et al. (2023). Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist. Biochimica et Biophysica Acta - Gene Regulatory Mechanisms 1866(3) , 194962. 10.1016/j.bbagrm.2023.194962. [PDB: 8jtn] CMCF-ID Health
Duvall, Jeremy R.; Thomas, Joshua D.; Bukhalid, Raghida A.; Catcott, Kalli C.; Bentley, Keith W. et al. (2023). Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.3c00907. [PDB: 8sth] CMCF-ID Health