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Peroxy intermediate drives carbon bond activation in the dioxygenase AsqJ
Auman, D., Ecker, F., Mader, S. L., Dorst, K. M., Bräuer, A., Widmalm, G., … Kaila, V. R. I. (2022). Peroxy intermediate drives carbon bond activation in the dioxygenase AsqJ. Journal of the American Chemical Society, 144(34), 15622-15632. https://doi.org/10.1021/jacs.2c05650
The molybdenum storage protein forms and deposits distinct polynuclear tungsten oxygen aggregates
Aziz, I., Kaltwasser, S., Kayastha, K., Khera, R., Vonck, J., & Ermler, U. (2022). The molybdenum storage protein forms and deposits distinct polynuclear tungsten oxygen aggregates. Journal of Inorganic Biochemistry, 234, 111904 (9 pp.). https://doi.org/10.1016/j.jinorgbio.2022.111904
An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity
Beaumet, M., Dose, A., Bräuer, A., Mahy, J. P., Ghattas, W., Groll, M., & Hess, C. R. (2022). An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity. Journal of Inorganic Biochemistry, 235, 111914 (5 pp.). https://doi.org/10.1016/j.jinorgbio.2022.111914
Exploring aspartic protease inhibitor binding to design selective antimalarials
Bobrovs, R., Basens, E. E., Drunka, L., Kanepe, I., Matisone, S., Velins, K. K., … Jaudzems, K. (2022). Exploring aspartic protease inhibitor binding to design selective antimalarials. Journal of Chemical Information and Modeling, 62(13), 3263-3273. https://doi.org/10.1021/acs.jcim.2c00422
The role of root hairs in water uptake: recent advances and future perspectives
Cai, G., & Ahmed, M. A. (2022). The role of root hairs in water uptake: recent advances and future perspectives. Journal of Experimental Botany, 73(11), 3330-3338. https://doi.org/10.1093/jxb/erac114
Reprogramming nonribosomal peptide synthetases for site-specific insertion of<em> </em>α-hydroxy acids
Camus, A., Truong, G., Mittl, P. R. E., Markert, G., & Hilvert, D. (2022). Reprogramming nonribosomal peptide synthetases for site-specific insertion of α-hydroxy acids. Journal of the American Chemical Society, 144(38), 17567-17575. https://doi.org/10.1021/jacs.2c07013
Novel macrocyclic antagonists of the calcitonin gene-related peptide receptor: design, realization, and structural characterization of protein-ligand complexes
Cansfield, A. D., Ator, M. A., Banerjee, J., Bestwick, M., Bortolato, A., Brown, G. A., … Watson, S. P. (2022). Novel macrocyclic antagonists of the calcitonin gene-related peptide receptor: design, realization, and structural characterization of protein-ligand complexes. ACS Chemical Neuroscience, 13(6), 751-765. https://doi.org/10.1021/acschemneuro.1c00696
Bicyclic pyrimidine compounds as potent IRAK4 inhibitors
Chen, Y., Tso, K., Heckrodt, T. J., Li, H., Yen, R., Lin, N., … Payan, D. G. (2022). Bicyclic pyrimidine compounds as potent IRAK4 inhibitors. Bioorganic and Medicinal Chemistry Letters, 73, 128900 (5 pp.). https://doi.org/10.1016/j.bmcl.2022.128900
<em>N</em>-heterocyclic 3-pyridyl carboxamide inhibitors of DHODH for the treatment of acute myelogenous leukemia
Cisar, J. S., Pietsch, C., DeRatt, L. G., Jacoby, E., Kazmi, F., Keohane, C., … Kuduk, S. D. (2022). N-heterocyclic 3-pyridyl carboxamide inhibitors of DHODH for the treatment of acute myelogenous leukemia. Journal of Medicinal Chemistry, 65(16), 11241-11256. https://doi.org/10.1021/acs.jmedchem.2c00788
A scalable strategy to solve structures of PDZ domains and their complexes
Cousido-Siah, A., Carneiro, L., Kostmann, C., Ecsedi, P., Nyitray, L., Trave, G., & Gogl, G. (2022). A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallographica Section D: Structural Biology, 78, 509-516. https://doi.org/10.1107/S2059798322001784
Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes
Cullati, S. N., Chaikuad, A., Chen, J. S., Gebel, J., Tesmer, L., Zhubi, R., … Gould, K. L. (2022). Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Molecular Cell, 82(11), 2006-2020.e8. https://doi.org/10.1016/j.molcel.2022.03.005
Screening of a Halogen-Enriched Fragment Library leads to unconventional binding modes
Dammann, M., Stahlecker, J., Zimmermann, M. O., Klett, T., Rotzinger, K., Kramer, M., … Boeckler, F. M. (2022). Screening of a Halogen-Enriched Fragment Library leads to unconventional binding modes. Journal of Medicinal Chemistry, 65(21), 14539-14552. https://doi.org/10.1021/acs.jmedchem.2c00951
Discovery and optimization of highly selective inhibitors of CDK5
Daniels, M. H., Malojcic, G., Clugston, S. L., Williams, B., Coeffet-Le Gal, M., Pan-Zhou, X. R., … Ledeboer, M. (2022). Discovery and optimization of highly selective inhibitors of CDK5. Journal of Medicinal Chemistry, 65(4), 3575-3596. https://doi.org/10.1021/acs.jmedchem.1c02069
TEMPO-Ru-BEA composite material for the selective oxidation of alcohols to aldehydes
Deng, J., Ben Tayeb, K., Dong, C., Simon, P., Marinova, M., Dubois, M., … Ordomsky, V. V. (2022). TEMPO-Ru-BEA composite material for the selective oxidation of alcohols to aldehydes. ACS Catalysis, 12(15), 8925-8935. https://doi.org/10.1021/acscatal.2c01554
Crystal structure of human acetylcholinesterase in complex with tacrine: implications for drug discovery
Dileep, K. V., Ihara, K., Mishima-Tsumagari, C., Kukimoto-Niino, M., Yonemochi, M., Hanada, K., … Zhang, K. Y. J. (2022). Crystal structure of human acetylcholinesterase in complex with tacrine: implications for drug discovery. International Journal of Biological Macromolecules, 210, 172-181. https://doi.org/10.1016/j.ijbiomac.2022.05.009
Prominent role of cysteine residues C49 and C343 in regulating <em>Plasmodium falciparum </em>pyruvate kinase activity
Dillenberger, M., Rahlfs, S., Becker, K., & Fritz-Wolf, K. (2022). Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity. Structure, 30(10), 1452-1461.e3. https://doi.org/10.1016/j.str.2022.08.001
Identification of NVP-CLR457 as an orally bioavailable Non-CNS-Penetrant pan-class IA phosphoinositol-3-kinase inhibitor
Fairhurst, R. A., Furet, P., Imbach-Weese, P., Stauffer, F., Rueeger, H., McCarthy, C., … Caravatti, G. (2022). Identification of NVP-CLR457 as an orally bioavailable Non-CNS-Penetrant pan-class IA phosphoinositol-3-kinase inhibitor. Journal of Medicinal Chemistry, 65(12), 8345-8379. https://doi.org/10.1021/acs.jmedchem.2c00267
Effects of heat treatment on microstructure, hardness and local structure in a compositionally complex alloy
Fantin, A., Cakir, C. T., Kasatikov, S., Schumacher, G., & Manzoni, A. M. (2022). Effects of heat treatment on microstructure, hardness and local structure in a compositionally complex alloy. Materials Chemistry and Physics, 276, 125432 (6 pp.). https://doi.org/10.1016/j.matchemphys.2021.125432
Structure of a promiscuous thioesterase domain responsible for branching acylation in polyketide biosynthesis
Fraley, A. E., Dieterich, C. L., Mabesoone, M. F. J., Minas, H. A., Meoded, R. A., Hemmerling, F., & Piel, J. (2022). Structure of a promiscuous thioesterase domain responsible for branching acylation in polyketide biosynthesis. Angewandte Chemie International Edition, 61(39), e202206385 (9 pp.). https://doi.org/10.1002/anie.202206385
Early and mid-Cretaceous Aristolochiaceous seeds from Portugal and Eastern North America
Friis, E. M., Crane, P. R., & Pedersen, K. R. (2022). Early and mid-Cretaceous Aristolochiaceous seeds from Portugal and Eastern North America. International Journal of Plant Sciences, 183(7) (17 pp.). https://doi.org/10.1086/721259
 

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