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Targeting cavity-creating p53 cancer mutations with small-molecule stabilizers: the Y220X paradigm
Bauer, M. R., Krämer, A., Settanni, G., Jones, R. N., Ni, X., Khan Tareque, R., … Joerger, A. C. (2020). Targeting cavity-creating p53 cancer mutations with small-molecule stabilizers: the Y220X paradigm. ACS Chemical Biology. https://doi.org/10.1021/acschembio.9b00748
Electron and proton transfers modulate DNA binding by the transcription regulator RsrR
Crack, J. C., Amara, P., Volbeda, A., Mouesca, J. M., Rohac, R., Pellicer Martinez, M. T., … Fontecilla-Camps, J. C. (2020). Electron and proton transfers modulate DNA binding by the transcription regulator RsrR. Journal of the American Chemical Society. https://doi.org/10.1021/jacs.9b12250
Structure-guided design of a peptide lock for modular peptide binders
Ernst, P., Zosel, F., Reichen, C., Nettels, D., Schuler, B., & Plückthun, A. (2020). Structure-guided design of a peptide lock for modular peptide binders. ACS Chemical Biology, 15(2), 457-468. https://doi.org/10.1021/acschembio.9b00928
In meso in situ serial X-Ray crystallography (IMISX): a protocol for membrane protein structure determination at the Swiss Light Source
Huang, C. Y., Olieric, V., Caffrey, M., & Wang, M. (2020). In meso in situ serial X-Ray crystallography (IMISX): a protocol for membrane protein structure determination at the Swiss Light Source. In C. Perez & T. Maier (Eds.), Methods in molecular biology: Vol. 2127. Expression, purification, and structural biology of membrane proteins. https://doi.org/10.1007/978-1-0716-0373-4_20
Crystal structure of the translation recovery factor Trf from <em>Sulfolobus solfataricus</em>
Kaiser, M., Wurm, J. P., Märtens, B., Bläsi, U., Pogoryelov, D., & Wöhnert, J. (2020). Crystal structure of the translation recovery factor Trf from Sulfolobus solfataricus. FEBS Open Bio, 10(2), 221-228. https://doi.org/10.1002/2211-5463.12772
A precisely positioned MED12 activation helix stimulates CDK8 kinase activity
Klatt, F., Leitner, A., Kim, I. V., Ho-Xuan, H., Schneider, E. V., Langhammer, F., … Kuhn, C. D. (2020). A precisely positioned MED12 activation helix stimulates CDK8 kinase activity. Proceedings of the National Academy of Sciences of the United States of America PNAS, 117(6), 2894-2905. https://doi.org/10.1073/pnas.1917635117
Stereoselective activity of 1-propargyl-4-styrylpiperidine-like analogues that can discriminate between monoamine oxidase isoforms A and B
Knez, D., Colettis, N., Iacovino, L. G., Sova, M., Pišlar, A., Konc, J., … Gobec, S. (2020). Stereoselective activity of 1-propargyl-4-styrylpiperidine-like analogues that can discriminate between monoamine oxidase isoforms A and B. Journal of Medicinal Chemistry. https://doi.org/10.1021/acs.jmedchem.9b01886
JUNGFRAU detector for brighter x-ray sources: solutions for IT and data science challenges in macromolecular crystallography
Leonarski, F., Mozzanica, A., Brückner, M., Lopez-Cuenca, C., Redford, S., Sala, L., … Wang, M. (2020). JUNGFRAU detector for brighter x-ray sources: solutions for IT and data science challenges in macromolecular crystallography. Structural Dynamics, 7(1), 014305 (13 pp.). https://doi.org/10.1063/1.5143480
Human PLD structures enable drug design and characterization of isoenzyme selectivity
Metrick, C. M., Peterson, E. A., Santoro, J. C., Enyedy, I. J., Murugan, P., Chen, T. Y., … Chodaparambil, J. V. (2020). Human PLD structures enable drug design and characterization of isoenzyme selectivity. Nature Chemical Biology. https://doi.org/10.1038/s41589-019-0458-4
Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs
Nicoll, C. R., Bailleul, G., Fiorentini, F., Mascotti, M. L., Fraaije, M. W., & Mattevi, A. (2020). Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs. Nature Structural and Molecular Biology, 27(1), 14-24. https://doi.org/10.1038/s41594-019-0347-2
Structures of lipoprotein signal peptidase II from <em>Staphylococcus aureus</em> complexed with antibiotics globomycin and myxovirescin
Olatunji, S., Yu, X., Bailey, J., Huang, C. Y., Zapotoczna, M., Bowen, K., … Caffrey, M. (2020). Structures of lipoprotein signal peptidase II from Staphylococcus aureus complexed with antibiotics globomycin and myxovirescin. Nature Communications, 11(1), 140 (11 pp.). https://doi.org/10.1038/s41467-019-13724-y
Comparison of orexin 1 and orexin 2 ligand binding modes using X-ray crystallography and computational analysis
Rappas, M., Ali, A. A. E., Bennett, K. A., Brown, J. D., Bucknell, S. J., Congreve, M., … Christopher, J. A. (2020). Comparison of orexin 1 and orexin 2 ligand binding modes using X-ray crystallography and computational analysis. Journal of Medicinal Chemistry. https://doi.org/10.1021/acs.jmedchem.9b01787
What does fluorine do to a protein? Thermodynamic, and highly-resolved structural insights into fluorine-labelled variants of the cold shock protein
Welte, H., Zhou, T., Mihajlenko, X., Mayans, O., & Kovermann, M. (2020). What does fluorine do to a protein? Thermodynamic, and highly-resolved structural insights into fluorine-labelled variants of the cold shock protein. Scientific Reports, 10(1), 2640 (12 pp.). https://doi.org/10.1038/s41598-020-59446-w
Conformational changes in apolipoprotein N-acyltransferase (Lnt)
Wiseman, B., & Högbom, M. (2020). Conformational changes in apolipoprotein N-acyltransferase (Lnt). Scientific Reports, 10(1), 639 (11 pp.). https://doi.org/10.1038/s41598-020-57419-7
Discovery and optimization of heteroaryl piperazines as potent and selective PI3Kδ inhibitors
Zhou, H., McGowan, M. A., Lipford, K., Christopher, M., Fradera, X., Witter, D., … Katz, J. D. (2020). Discovery and optimization of heteroaryl piperazines as potent and selective PI3Kδ inhibitors. Bioorganic and Medicinal Chemistry Letters, 30(1), 126715 (8 pp.). https://doi.org/10.1016/j.bmcl.2019.126715
Fragment-based discovery of novel potent sepiapterin reductase inhibitors
Alen, J., Schade, M., Wagener, M., Christian, F., Nordhoff, S., Merla, B., … Ratcliffe, P. (2019). Fragment-based discovery of novel potent sepiapterin reductase inhibitors. Journal of Medicinal Chemistry, 62(13), 6391-6397. https://doi.org/10.1021/acs.jmedchem.9b00218
Structure and function of photosystem I in <i>Cyanidioschyzon merolae</i>
Antoshvili, M., Caspy, I., Hippler, M., & Nelson, N. (2019). Structure and function of photosystem I in Cyanidioschyzon merolae. Photosynthesis Research, 139(1-3), 499-508. https://doi.org/10.1007/s11120-018-0501-4
Crystal structure of CC chemokine receptor 2A in complex with an orthosteric antagonist provides insights for the design of selective antagonists
Apel, A. K., Cheng, R. K. Y., Tautermann, C. S., Brauchle, M., Huang, C. Y., Pautsch, A., … Schnapp, G. (2019). Crystal structure of CC chemokine receptor 2A in complex with an orthosteric antagonist provides insights for the design of selective antagonists. Structure, 27(3), 427-438.e5. https://doi.org/10.1016/j.str.2018.10.027
Identification of 2-imidazopyridine and 2-aminopyridone purinones as potent pan-Janus kinase (JAK) inhibitors for the inhaled treatment of respiratory diseases
Bach, J., Eastwood, P., González, J., Gómez, E., Alonso, J. A., Fonquerna, S., … Ramis, I. (2019). Identification of 2-imidazopyridine and 2-aminopyridone purinones as potent pan-Janus kinase (JAK) inhibitors for the inhaled treatment of respiratory diseases. Journal of Medicinal Chemistry, 62(20), 9045-9060. https://doi.org/10.1021/acs.jmedchem.9b00533
Structures in tetrahydrofolate methylation in desulfitobacterial glycine betaine metabolism at atomic resolution
Badmann, T., & Groll, M. (2019). Structures in tetrahydrofolate methylation in desulfitobacterial glycine betaine metabolism at atomic resolution. ChemBioChem. https://doi.org/10.1002/cbic.201900515
 

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