Publication Beamlines Strategic Pillar
Zhu, Yuao; Yurgelonis, Irina; Noell, Stephen; Yang, Qingyi; Guan, Shunjie et al. (2024). In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Science Advances 10(30) . 10.1126/sciadv.adl4013. [PDB: 9aum] CMCF-ID Health
Zheng, Xiaozhang; Ji, Nan; Campbell, Veronica; Slavin, Anthony; Zhu, Xiao et al. (2024). Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.4c01305. [PDB: 9cuo] CMCF-ID Health
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
Xu, Shangyi; Grochulski, Pawel; Tanaka, Takuji (2024). Structural basis for the allosteric behaviour and substrate specificity of Lactococcus lactis Prolidase. Biochimica et Biophysica Acta - Proteins and Proteomics 1872(3) , 141000. 10.1016/j.bbapap.2024.141000. CMCF-BM, CMCF-ID Health
Wilding, Birgit; Scharn, Dirk; Böse, Dietrich; Baum, Anke; Santoro, Valeria et al. (2022). Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling. Nature Cancer 3(7) , 821-836. 10.1038/s43018-022-00412-y. [PDB: 7pcd] CMCF-ID Health
White, Brandy; Patterson, Michelle; Karnwal, Saloni; Brooks, Cory L. (2022). Crystal structure of a human MUC16 SEA domain reveals insight into the nature of the CA125 tumor marker. Proteins: Structure. Function and Bioinformatics 90(5) . 10.1002/prot.26303. [PDB: 7sa9] CMCF-ID Health
Walker, Morgan E.; Zhu, Wei; Peterson, Janine H.; Wang, Hao; Patteson, Jon et al. (2025). Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition. Nature Communications 16(1) . 10.1038/s41467-025-58086-w. [PDB: 9cs0, 9cs1] CMCF-ID Health
Vu, Binh T.; Dominique, Romyr; Fahr, Bruce J.; Li, Hongju H.; Fry, David C. et al. (2024). Discovery of Rezatapopt (PC14586), a First-in-Class, Small-Molecule Reactivator of p53 Y220C Mutant in Development. ACS Medicinal Chemistry Letters . 10.1021/acsmedchemlett.4c00379. [PDB: 9br4] 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
Tian, Yuqing; Worrall, Liam J.; Sim, Lyann; Liu, Feng; Nasseri, Seyed A. et al. (2024). Cobalt as a Cofactor for α-Galactosaminidase-Catalyzed Cleavage of Blood Group Antigens. ACS Catalysis 14(17) , 13497-13508. 10.1021/acscatal.4c03643. [PDB: 9awt, 9ay8, 9ayu] 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
Taylor, Alexander M.; Bailey, Chris; Belmont, Lisa D.; Campbell, Robert; Cantone, Nico et al. (2022). GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. Journal of Medicinal Chemistry 65(16) , 11177-11186. 10.1021/acs.jmedchem.2c00662. [PDB: 7td9] CMCF-ID Health
Tao, Xuan; Zhang, Lu; Du, Liubing; Lu, Kai; Zhao, Zhennan et al. (2022). Inhibition of SARS-CoV-2 replication by zinc gluconate in combination with hinokitiol. Journal of Inorganic Biochemistry 231, 111777. 10.1016/j.jinorgbio.2022.111777. 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
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