| Structure-based optimization and biological evaluation of potent and selective MMP-7 inhibitors for kidney fibrosis
Abe-Sato, K., Tabuse, H., Kanazawa, H., Kamitani, M., Endo, M., Tokura, S., … Oka, Y. (2023). Structure-based optimization and biological evaluation of potent and selective MMP-7 inhibitors for kidney fibrosis. Journal of Medicinal Chemistry, 66(21), 14653-14668. https://doi.org/10.1021/acs.jmedchem.3c01166 |
| Discovery of the TLR7/8 antagonist MHV370 for treatment of systemic autoimmune diseases
Alper, P., Betschart, C., André, C., Boulay, T., Cheng, D., Deane, J., … Michellys, P. Y. (2023). Discovery of the TLR7/8 antagonist MHV370 for treatment of systemic autoimmune diseases. ACS Medicinal Chemistry Letters, 14(8), 1054-1062. https://doi.org/10.1021/acsmedchemlett.3c00136 |
| Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation
Alvarez, H. A., Cousido-Siah, A., Espinosa, Y. R., Podjarny, A., Carlevaro, C. M., & Howard, E. (2023). Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation. Proteins, 91(11), 1525-1534. https://doi.org/10.1002/prot.26546 |
| Fragment-based discovery of novel VE-PTP inhibitors using orthogonal biophysical techniques
Asano, W., Yamanaka, K., Ohara, Y., Uhara, T., Doi, S., Orita, T., … Hantani, Y. (2023). Fragment-based discovery of novel VE-PTP inhibitors using orthogonal biophysical techniques. Biochemistry, 62(14), 2161-2169. https://doi.org/10.1021/acs.biochem.3c00079 |
| Light-driven C–O coupling of carboxylic acids and alkyl halides over a Ni single-atom catalyst
Bajada, M. A., Di Liberto, G., Tosoni, S., Ruta, V., Mino, L., Allasia, N., … Vilé, G. (2023). Light-driven C–O coupling of carboxylic acids and alkyl halides over a Ni single-atom catalyst. Nature Synthesis, 2, 1092-1103. https://doi.org/10.1038/s44160-023-00341-3 |
| Development of a potent cyclic peptide inhibitor of the nNOS/PSD-95 interaction
Balboa, J. R., Essig, D. J., Ma, S., Karer, N., Clemmensen, L. S., Pedersen, S. W., … Strømgaard, K. (2023). Development of a potent cyclic peptide inhibitor of the nNOS/PSD-95 interaction. Journal of Medicinal Chemistry, 66(1), 976-990. https://doi.org/10.1021/acs.jmedchem.2c01803 |
| Synthesis of thieno[2,3-<em>c</em>]pyridine derived GRK2 inhibitors
Balo, T., Sapi, A., Kiss, A., Raimbaud, E., Paysant, J., Cattin, M. E., … Faucher, N. (2023). Synthesis of thieno[2,3-c]pyridine derived GRK2 inhibitors. Monatshefte für Chemie, 154, 1339-1357. https://doi.org/10.1007/s00706-021-02889-2 |
| Identification of M4205 - a highly selective inhibitor of KIT mutations for treatment of unresectable metastatic or recurrent gastrointestinal stromal tumors
Blum, A., Dorsch, D., Linde, N., Brandstetter, S., Buchstaller, H. P., Busch, M., … Esdar, C. (2023). Identification of M4205 - a highly selective inhibitor of KIT mutations for treatment of unresectable metastatic or recurrent gastrointestinal stromal tumors. Journal of Medicinal Chemistry, 66(4), 2386-2395. https://doi.org/10.1021/acs.jmedchem.2c00851 |
| Discovery of cycloalkyl[<em>c</em>]thiophenes as novel scaffolds for hypoxia-inducible factor-2<em>α</em> inhibitors
Buchstaller, H. P., Sala-Hojman, A., Leiendecker, M., Albers, J., Anlauf, U., Berges, N., … Zarębski, A. (2023). Discovery of cycloalkyl[c]thiophenes as novel scaffolds for hypoxia-inducible factor-2α inhibitors. Journal of Medicinal Chemistry, 66(13), 8666-8686. https://doi.org/10.1021/acs.jmedchem.3c00332 |
| Oxygen-induced chromophore degradation in the photoswitchable red fluorescent protein rsCherry
Bui, T. Y. H., De Zitter, E., Moeyaert, B., Pecqueur, L., Srinivasu, B. Y., Economou, A., … Pedre, B. (2023). Oxygen-induced chromophore degradation in the photoswitchable red fluorescent protein rsCherry. International Journal of Biological Macromolecules, 239, 124179 (9 pp.). https://doi.org/10.1016/j.ijbiomac.2023.124179 |
| Structural and functional characterization of the ureidoacrylate amidohydrolase RutB from <em>Escherichia coli</em>
Busch, M. R., Rajendran, C., & Sterner, R. (2023). Structural and functional characterization of the ureidoacrylate amidohydrolase RutB from Escherichia coli. Biochemistry, 62(3), 863-872. https://doi.org/10.1021/acs.biochem.2c00640 |
| FRAGTORY: pharmacophore-focused design, synthesis, and evaluation of an sp<sup>3</sup>-enriched fragment library
Bührmann, M., Kallepu, S., Warmuth, J. D., Wiese, J. N., Ehrt, C., Vatheuer, H., … Rauh, D. (2023). FRAGTORY: pharmacophore-focused design, synthesis, and evaluation of an sp3-enriched fragment library. Journal of Medicinal Chemistry, 66(9), 6297-6314. https://doi.org/10.1021/acs.jmedchem.3c00187 |
| Improved repeat protein stability by combined consensus and computational protein design
Cucuzza, S., Michel, E., Mittl, P. R. E., Zerbe, O., & Plückthun, A. (2023). Improved repeat protein stability by combined consensus and computational protein design. Biochemistry, 62(2), 318-329. https://doi.org/10.1021/acs.biochem.2c00083 |
| Discovery of a series of indane-containing NBTIs with activity against multidrug-resistant gram-negative pathogens
Cumming, J. G., Kreis, L., Kühne, H., Wermuth, R., Vercruysse, M., Kramer, C., … Xu, Z. (2023). Discovery of a series of indane-containing NBTIs with activity against multidrug-resistant gram-negative pathogens. ACS Medicinal Chemistry Letters, 14(7), 993-998. https://doi.org/10.1021/acsmedchemlett.3c00187 |
| Leucettinibs, a class of DYRK/CLK kinase inhibitors Inspired by the marine sponge natural product leucettamine B
Deau, E., Lindberg, M. F., Miege, F., Roche, D., George, N., George, P., … Meijer, L. (2023). Leucettinibs, a class of DYRK/CLK kinase inhibitors Inspired by the marine sponge natural product leucettamine B. Journal of Medicinal Chemistry, 66(15), 10694-10714. https://doi.org/10.1021/acs.jmedchem.3c00884 |
| Macrocyclic carbon-linked pyrazoles as novel inhibitors of MCL-1
Demin, S., Peschiulli, A., Velter, A. I., Vos, A., De Boeck, B., Miller, B., … Philippar, U. (2023). Macrocyclic carbon-linked pyrazoles as novel inhibitors of MCL-1. ACS Medicinal Chemistry Letters, 14(7), 955-961. https://doi.org/10.1021/acsmedchemlett.3c00141 |
| An unusual active site architecture in cytochrome c nitrite reductase NrfA-1 from <em>Geobacter metallireducens</em>
Denkhaus, L., Siffert, F., & Einsle, O. (2023). An unusual active site architecture in cytochrome c nitrite reductase NrfA-1 from Geobacter metallireducens. FEMS Microbiology Letters, 370, 1-8. https://doi.org/10.1093/femsle/fnad068 |
| A covalent binding mode of a pyrazole-based CD38 inhibitor
Doyle, K., Roberts, M., Harvey, J., Hewer, R., Zebisch, M., Rangel, V., … Bürli, R. (2023). A covalent binding mode of a pyrazole-based CD38 inhibitor. Helvetica Chimica Acta, 106(9), e202300080 (10 pp.). https://doi.org/10.1002/hlca.202300080 |
| Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design
Ebenhoch, R., Bauer, M., Romig, H., Gottschling, D., Kley, J. T., Heine, N., … Pautsch, A. (2023). Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallographica Section D: Structural Biology, 79(10), 871-880. https://doi.org/10.1107/S2059798323006137 |
| N‐terminal β‐strand in YAP is critical for stronger binding to scalloped relative to TEAD transcription factor
Fedir, B., Yannick, M., Marco, M., Patrizia, F., Catherine, Z., Frédéric, V., … Patrick, C. (2023). N‐terminal β‐strand in YAP is critical for stronger binding to scalloped relative to TEAD transcription factor. Protein Science, 32(1), e4545 (13 pp.). https://doi.org/10.1002/pro.4545 |
