Publication Beamlines Strategic Pillar
Callahan, Alex J.; Gandhesiri, Satish; Travaline, Tara L.; Lozano Salazar, Lia; Hanna, Stephanie et al. (2023). Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display. Environmental Science & Technology . 10.26434/chemrxiv-2023-x86xp. [PDB: 8f16, 8f17] CMCF-BM 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
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
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
Gui, Wenjun; Hang, Yumo; Cheng, Wang; Gao, Minqi; Wu, Jiaquan et al. (2023). Structural basis of CDK3 activation by cyclin E1 and inhibition by dinaciclib. Biochemical and Biophysical Research Communications 662, 126-134. 10.1016/j.bbrc.2023.04.026. CMCF-BM, 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
Toure, Momar; Johnson, Theresa; Li, Bin; Schmidt, Ralf; Ma, Hong et al. (2023). Discovery of quinazoline HPK1 inhibitors with high cellular potency. Bioorganic and Medicinal Chemistry 92, 117423. 10.1016/j.bmc.2023.117423. [PDB: 8cij] CMCF-BM Health
Candito, David A.; Simov, Vladimir; Gulati, Anmol; Kattar, Solomon; Chau, Ryan W. et al. (2022). Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1H-Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson’s Disease. Journal of Medicinal Chemistry 65(24) , 16801-16817. 10.1021/acs.jmedchem.2c01605. [PDB: 8e80] CMCF-ID Health
Goedken, Eric R.; Argiriadi, Maria A.; Dietrich, Justin D.; Petros, Andrew M.; Krishnan, Navasona et al. (2022). Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Scientific Reports 12(1) . 10.1038/s41598-022-18760-1. [PDB: 8dyg] CMCF-ID Health
Li, Kunhua; Tokareva, Olena S.; Thomson, Ty M.; Wahl, Sebastian C. T.; Travaline, Tara L. et al. (2022). De novo mapping of α-helix recognition sites on protein surfaces using unbiased libraries. Proceedings of the National Academy of Sciences of the United States of America 119(52) . 10.1073/pnas.2210435119. [PDB: 7uwi] CMCF-ID Health
Li, Mingzong; Konteatis, Zenon; Nagaraja, Nelamangala; Chen, Yue; Zhou, Shubao et al. (2022). Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. Journal of Medicinal Chemistry 65(6) , 4600-4615. 10.1021/acs.jmedchem.1c01595. [PDB: 7rwg] CMCF-BM Health
Luan, Xiaodong; Li, Xinming; Li, Yufan; Su, Gengchen; Yin, Wanchao et al. (2022). Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Science Bulletin 67(22) , 2327-2335. 10.1016/j.scib.2022.10.021. [PDB: 7xwz] CMCF-ID Health
Naidu, B. Narasimhulu; Patel, Manoj; McAuliffe, Brian; Ding, Bo; Cianci, Christopher et al. (2022). Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs. Journal of Medicinal Chemistry 65(6) , 4949-4971. 10.1021/acs.jmedchem.1c02169. [PDB: 7t9o] CMCF-ID Health
Parcella, Kyle; Wang, Tao; Eastman, Kyle; Zhang, Zhongxing; Yin, Zhiwei et al. (2022). Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor. ACS Medicinal Chemistry Letters 13(6) , 972-980. 10.1021/acsmedchemlett.2c00115. [PDB: 7uoq] 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