Throner, Scott; Feng, Tianshu; Andersen, Jannik N.; Bandi, Madhavi; Engel, Justin L. et al. (2025). Discovery of TNG-6132, a potent, selective, and orally bioavailable USP1 inhibitor. Bioorganic and Medicinal Chemistry Letters 124, 130262. 10.1016/j.bmcl.2025.130262. [PDB: 9n9y] |
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Stille, Julia K.; Tjutrins, Jevgenijs; Wang, Guanyu; Venegas, Felipe A.; Hennecker, Christopher et al. (2022). Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors. European Journal of Medicinal Chemistry 229, 114046. 10.1016/j.ejmech.2021.114046. [PDB: 7mlf] |
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Stevenson, James; Ngo, Maria; Brandt, Alicia; Weadge, Joel T.; Suits, Michael D. L. et al. (2021). Analysis of Two SusE-Like Enzymes From Bacteroides thetaiotaomicron Reveals a Potential Degradative Capacity for This Protein Family. Frontiers in Microbiology 12. 10.3389/fmicb.2021.645765. [PDB: 7m1a, 7m1b] |
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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] |
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Shurtleff, Valerie W.; Layton, Mark E.; Parish, Craig A.; Perkins, James J.; Schreier, John D. et al. (2024). Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.3c02248. [PDB: 8ute] |
CMCF-BM |
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Shen, Yao; Gomez-Blanco, Josue; Petassi, Michael T.; Peters, Joseph E.; Ortega, Joaquin et al. (2022). Structural basis for DNA targeting by the Tn7 transposon. Nature Structural and Molecular Biology 29(2) , 143-151. 10.1038/s41594-022-00724-8. [PDB: 7mbw] |
CMCF-BM |
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Sharon, Itai; Schmeing, T. Martin (2023). Bioinformatics of cyanophycin metabolism genes and characterization of promiscuous isoaspartyl dipeptidases that catalyze the final step of cyanophycin degradation. Scientific Reports 13(1) . 10.1038/s41598-023-34587-w. |
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Sharon, Itai; McKay, Geoffrey A.; Nguyen, Dao; Schmeing, T. Martin (2023). Discovery of cyanophycin dipeptide hydrolase enzymes suggests widespread utility of the natural biopolymer cyanophycin. Proceedings of the National Academy of Sciences of the United States of America 120(8) . 10.1073/pnas.2216547120. |
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Sharon, Itai; Grogg, Marcel; Hilvert, Donald; Schmeing, T. Martin (2022). The structure of cyanophycinase in complex with a cyanophycin degradation intermediate. Biochimica et Biophysica Acta - General Subjects 1866(11) , 130217. 10.1016/j.bbagen.2022.130217. [PDB: 7uqv] |
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Sharon, Itai; Grogg, Marcel; Hilvert, Donald; Schmeing, T. Martin (2022). Structure and Function of the β-Asp-Arg Polymerase Cyanophycin Synthetase 2. ACS Chemical Biology 17(3) . 10.1021/acschembio.1c01007. [PDB: 7ta5] |
CMCF-BM |
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Satishkumar, Nidhi; Alexander, J Andrew N; Poon, Raymond; Buggeln, Emma; Argudín, Maria A et al. (2021). PBP4-mediated β-lactam resistance among clinical strains of Staphylococcus aureus. Journal of Antimicrobial Chemotherapy 76(9) . 10.1093/jac/dkab201. [PDB: 7kcv] |
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Saran, Anshu; Kim, Hey-Min; Manning, Ireland; Hancock, Mark A; Schmitz, Claus et al. (2024). Unveiling the molecular mechanisms of the type IX secretion system's response regulator: Structural and functional insights. PNAS Nexus 3(8) . 10.1093/pnasnexus/pgae316. [PDB: 8ted] |
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Rolando, Monica; Wah Chung, Ivy Yeuk; Xu, Caishuang; Gomez-Valero, Laura; England, Patrick et al. (2023). The SET and ankyrin domains of the secreted
Legionella pneumophila
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Radka, Christopher D.; Aller, Stephen G. (2021). Site 2 of the Yersinia pestis substrate-binding protein YfeA is a dynamic surface metal-binding site. Acta Crystallographica Section F:Structural Biology Communications 77(9) , 286-293. 10.1107/s2053230x21008086. [PDB: 7me1] |
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Pollock, Georgina L.; Grishin, Andrey M.; Giogha, Cristina; Gan, Jiyao; Oates, Clare V. et al. (2022). Targeting of microvillus protein Eps8 by the NleH effector kinases from enteropathogenic
E. coli. Proceedings of the National Academy of Sciences of the United States of America 119(34) . 10.1073/pnas.2204332119. [PDB: 7tzk] |
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