Publication Beamlines Strategic Pillar
Mendez, Alex; Bolling, Cydni; Taylor, Shane; Makumire, Stanley; Staker, Bart et al. (2025). Structure of Plasmodium vivax N-myristoyltransferase with inhibitor IMP-1088: exploring an NMT inhibitor for antimalarial therapy. Acta Crystallographica Section F:Structural Biology Communications 81(1) , 1-10. 10.1107/s2053230x24011348. [PDB: 5v0w] 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
Miranda-Zaragoza, Beatriz; Huerta-Miranda, Guillermo A.; García-García, Wendy I.; Hernández-Álvarez, Elizabeth; Solano-Peralta, Alejandro et al. (2025). Structure-Function Relationship of the β-Hairpin of Thermus thermophilus HB27 Laccase. International Journal of Molecular Sciences 26(2) , 735. 10.3390/ijms26020735. [PDB: 9cpm] CMCF-ID Health
Nakhla, Mina C.; Comita, Janelle; Shapiro, Adam B.; Moussa, Samir H.; Chen, April et al. (2025). Small molecule inhibitors of mannan-binding lectin-associated serine Proteases-2 and-3. European Journal of Medicinal Chemistry 289, 117238. 10.1016/j.ejmech.2025.117238. [PDB: 9d17, 9d3y, 9d40, 9d4d] CMCF-ID Health
Perez-Bermejo, Juan A.; Efagene, Oghene; Matern, William M.; Holden, Jeffrey K.; Kabir, Shaheen et al. (2024). Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nature Communications 15(1) . 10.1038/s41467-024-46816-5. [PDB: 8svg, 8svh, 8svi] CMCF-ID Health
Poullennec, Karine G.; Jnoff, Eric; Abendroth, Jan; Bhuma, Naresh; Calmiano, Mark et al. (2024). Discovery of UCB9386: A Potent, Selective, and Brain-Penetrant Nuak1 Inhibitor Suitable for In Vivo Pharmacological Studies. Journal of Medicinal Chemistry 67(23) , 20879-20910. 10.1021/acs.jmedchem.4c01237. [PDB: 8uoj] CMCF-ID Health
Puumala, Emily; Sychantha, David; Lach, Elizabeth; Reeves, Shawn; Nabeela, Sunna et al. (2024). Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-β-thiophenylacrylamides exerts highly selective antifungal activity. Cell Chemical Biology . 10.1016/j.chembiol.2024.01.010. [PDB: 8uk6] CMCF-ID Health
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
Sauvé, Véronique; Stefan, Eric; Croteau, Nathalie; Goiran, Thomas; Fakih, Rayan et al. (2024). Activation of parkin by a molecular glue. Nature Communications 15(1) . 10.1038/s41467-024-51889-3. [PDB: 8w31] CMCF-ID Health
Schroeter, Kurt L.; Rolfe, Nicolas; Forrester, Taylor J.B.; Kimber, Matthew S.; Seah, Stephen Y.K. et al. (2024). Shy is a proteobacterial steroid hydratase which catalyzes steroid side chain degradation without requiring a catalytically inert partner domain. Journal of Biological Chemistry 300(8) , 107509. 10.1016/j.jbc.2024.107509. [PDB: 8vwr] 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
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
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
Vallée, Frédéric; Casás-Selves, Matias; Bubenik, Monica; Duplessis, Martin; Sow, Boubacar et al. (2025). Discovery of RP-1664: A First-in-Class Orally Bioavailable, Selective PLK4 Inhibitor. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.5c00529. [PDB: 9o63] CMCF-ID Health