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2022

Journal Article

Structural basis of resistance to herbicides that target acetohydroxyacid synthase

Lonhienne, Thierry, Cheng, Yan, Garcia, Mario D., Hu, Shu Hong, Low, Yu Shang, Schenk, Gerhard, Williams, Craig M. and Guddat, Luke W. (2022). Structural basis of resistance to herbicides that target acetohydroxyacid synthase. Nature Communications, 13 (1) 3368, 3368. doi: 10.1038/s41467-022-31023-x

Structural basis of resistance to herbicides that target acetohydroxyacid synthase

2022

Journal Article

A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors

Yan, Liming, Huang, Yucen, Ge, Ji, Liu, Zhenyu, Lu, Pengchi, Huang, Bo, Gao, Shan, Wang, Junbo, Tan, Liping, Ye, Sihan, Yu, Fengxi, Lan, Weiqi, Xu, Shiya, Zhou, Feng, Shi, Lei, Guddat, Luke W., Gao, Yan, Rao, Zihe and Lou, Zhiyong (2022). A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185 (23), 4347-4360. doi: 10.1016/j.cell.2022.09.037

A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors

2022

Journal Article

Engineering indel and substitution variants of diverse and ancient enzymes using Graphical Representation of Ancestral Sequence Predictions (GRASP)

Foley, Gabriel, Mora, Ariane, Ross, Connie M., Bottoms, Scott, Sützl, Leander, Lamprecht, Marnie L., Zaugg, Julian, Essebier, Alexandra, Balderson, Brad, Newell, Rhys, Thomson, Raine E. S., Kobe, Bostjan, Barnard, Ross T., Guddat, Luke, Schenk, Gerhard, Carsten, Jörg, Gumulya, Yosephine, Rost, Burkhard, Haltrich, Dietmar, Sieber, Volker, Gillam, Elizabeth M. J. and Bodén, Mikael (2022). Engineering indel and substitution variants of diverse and ancient enzymes using Graphical Representation of Ancestral Sequence Predictions (GRASP). PL o S Computational Biology, 18 (10) e1010633, e1010633. doi: 10.1371/journal.pcbi.1010633

Engineering indel and substitution variants of diverse and ancient enzymes using Graphical Representation of Ancestral Sequence Predictions (GRASP)

2022

Journal Article

Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3

Hu, Tianyu, Yang, Xiaolin, Liu, Fengjiang, Sun, Shan, Xiong, Zhiqi, Liang, Jingxi, Yang, Xiaobao, Wang, Haofeng, Yang, Xiuna, Guddat, Luke W., Yang, Haitao, Rao, Zihe and Zhang, Bing (2022). Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3. Structure, 30 (10), 1395-1402.e4. doi: 10.1016/j.str.2022.07.009

Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3

2022

Journal Article

Enhancing the Thermal and Kinetic Stability of Ketol-Acid Reductoisomerase, a Central Catalyst of a Cell-Free Enzyme Cascade for the Manufacture of Platform Chemicals

Lv, You, Zheng, Shan, Goldenzweig, Adi, Liu, Fengjiang, Gao, Yan, Yang, Xiuna, Kandale, Ajit, McGeary, Ross P., Williams, Simon, Kobe, Bostjan, Schembri, Mark A., Landsberg, Michael J., Wu, Bin, Brück, Thomas B., Sieber, Volker, Boden, Mikael, Rao, Zihe, Fleishman, Sarel J., Schenk, Gerhard and Guddat, Luke W. (2022). Enhancing the Thermal and Kinetic Stability of Ketol-Acid Reductoisomerase, a Central Catalyst of a Cell-Free Enzyme Cascade for the Manufacture of Platform Chemicals. Applied Biosciences, 1 (2), 163-178. doi: 10.3390/applbiosci1020011

Enhancing the Thermal and Kinetic Stability of Ketol-Acid Reductoisomerase, a Central Catalyst of a Cell-Free Enzyme Cascade for the Manufacture of Platform Chemicals

2022

Journal Article

Genome-guided analysis of seven weed species reveals conserved sequence and structural features of key gene targets for herbicide development

Shah, Sarah, Lonhienne, Thierry, Murray, Cody-Ellen, Chen, Yibi, Dougan, Katherine E., Low, Yu Shang, Williams, Craig M., Schenk, Gerhard, Walter, Gimme H., Guddat, Luke W. and Chan, Cheong Xin (2022). Genome-guided analysis of seven weed species reveals conserved sequence and structural features of key gene targets for herbicide development. Frontiers in Plant Science, 13 909073. doi: 10.3389/fpls.2022.909073

Genome-guided analysis of seven weed species reveals conserved sequence and structural features of key gene targets for herbicide development

2022

Journal Article

Dihydroxy‐acid dehydratases from pathogenic bacteria: emerging drug targets to combat antibiotic resistance

Bayaraa, Tenuun, Gaete, Jose, Sutiono, Samuel, Kurz, Julia, Lonhienne, Thierry, Harmer, Jeffrey R., Bernhardt, Paul V., Sieber, Volker, Guddat, Luke and Schenk, Gerhard (2022). Dihydroxy‐acid dehydratases from pathogenic bacteria: emerging drug targets to combat antibiotic resistance. Chemistry: A European Journal, 28 (44) e202200927, 1-14. doi: 10.1002/chem.202200927

Dihydroxy‐acid dehydratases from pathogenic bacteria: emerging drug targets to combat antibiotic resistance

2022

Other Outputs

Genomic resources of seven Australian weed species of national significance

Shah, Sarah, Lonhienne, Thierry, Murray, Cody-Ellen, Chen, Yibi, Dougan, Katherine E., Low, Yu Shang, Williams, Craig M., Schenk, Gerhard, Walter, Gimme H., Guddat, Luke W. and Chan, Cheong Xin (2022). Genomic resources of seven Australian weed species of national significance. The University of Queensland. (Dataset) doi: 10.48610/c22c10c

Genomic resources of seven Australian weed species of national significance

2022

Journal Article

Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2

Zhao, Yao, Zhu, Yan, Liu, Xiang, Jin, Zhenming, Duan, Yinkai, Zhang, Qi, Wu, Chengyao, Feng, Lu, Du, Xiaoyu, Zhao, Jinyi, Shao, Maolin, Zhang, Bing, Yang, Xiuna, Wu, Lijie, Ji, Xiaoyun, Guddat, Luke W., Yang, Kailin, Rao, Zihe and Yang, Haitao (2022). Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proceedings of the National Academy of Sciences, 119 (16) e2117142119, 1-9. doi: 10.1073/pnas.2117142119

Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2

2022

Journal Article

Herbicides that inhibit acetolactate synthase

Lonhienne, Thierry, Garcia, Mario Daniel, Low, Yu Shang and Guddat, Luke W. (2022). Herbicides that inhibit acetolactate synthase. Frontiers of Agricultural Science and Engineering, 9 (1), 155-160. doi: 10.15302/J-FASE-2021420

Herbicides that inhibit acetolactate synthase

2022

Journal Article

Stereo-defined acyclic nucleoside phosphonates are selective and potent inhibitors of parasite 6-oxopurine phosphoribosyltransferases

Klejch, Tomáš, Keough, Dianne T., King, Gordon, Doleželová, Eva, Česnek, Michal, Buděšínský, Miloš, Zíková, Alena, Janeba, Zlatko, Guddat, Luke W. and Hocková, Dana (2022). Stereo-defined acyclic nucleoside phosphonates are selective and potent inhibitors of parasite 6-oxopurine phosphoribosyltransferases. Journal of Medicinal Chemistry, 65 (5), 4030-4057. doi: 10.1021/acs.jmedchem.1c01881

Stereo-defined acyclic nucleoside phosphonates are selective and potent inhibitors of parasite 6-oxopurine phosphoribosyltransferases

2021

Journal Article

Conformational changes in a macrolide antibiotic binding protein from Mycobacterium smegmatis upon ADP binding

Zhang, Qingqing, Liu, Xiang, Liu, Huijuan, Zhang, Bingjie, Yang, Haitao, Mi, Kaixia, Guddat, Luke W. and Rao, Zihe (2021). Conformational changes in a macrolide antibiotic binding protein from Mycobacterium smegmatis upon ADP binding. Frontiers in Microbiology, 12 780954, 780954. doi: 10.3389/fmicb.2021.780954

Conformational changes in a macrolide antibiotic binding protein from Mycobacterium smegmatis upon ADP binding

2021

Journal Article

Author Correction: Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF (Nature Communications, (2020), 11, 1, (4245), 10.1038/s41467-020-18011-9)

Gong, Hongri, Gao, Yan, Zhou, Xiaoting, Xiao, Yu, Wang, Weiwei, Tang, Yanting, Zhou, Shan, Zhang, Yuying, Ji, Wenxin, Yu, Lu, Tian, Changlin, Lam, Sin Man, Shui, Guanghou, Guddat, Luke W., Wong, Luet-Lok, Wang, Quan and Rao, Zihe (2021). Author Correction: Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF (Nature Communications, (2020), 11, 1, (4245), 10.1038/s41467-020-18011-9). Nature Communications, 12 (1) 1370, 1370. doi: 10.1038/s41467-021-21616-3

Author Correction: Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF (Nature Communications, (2020), 11, 1, (4245), 10.1038/s41467-020-18011-9)

2021

Journal Article

Triazolopyrimidine herbicides are potent inhibitors of Aspergillus fumigatus acetohydroxyacid synthase and potential antifungal drug leads

Low, Y. S., Garcia, M. D., Lonhienne, T., Fraser, J. A., Schenk, G. and Guddat, L. W. (2021). Triazolopyrimidine herbicides are potent inhibitors of Aspergillus fumigatus acetohydroxyacid synthase and potential antifungal drug leads. Scientific Reports, 11 (1) 21055. doi: 10.1038/s41598-021-00349-9

Triazolopyrimidine herbicides are potent inhibitors of Aspergillus fumigatus acetohydroxyacid synthase and potential antifungal drug leads

2021

Journal Article

Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates

Zhou, Shan, Wang, Weiwei, Zhou, Xiaoting, Zhang, Yuying, Lai, Yuezheng, Tang, Yanting, Xu, Jinxu, Li, Dongmei, Lin, Jianping, Yang, Xiaolin, Ran, Ting, Chen, Hongming, Guddat, Luke W, Wang, Quan, Gao, Yan, Rao, Zihe and Gong, Hongri (2021). Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. eLife, 10 e69418. doi: 10.7554/elife.69418

Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates

2021

Journal Article

Kinetic and structural characterization of the first B3 metallo-β-lactamase with an active site glutamic acid

Wilson, Liam A., Knaven, Esmée G., Morris, Marc T., Monteiro Pedroso, Marcelo, Schofield, Christopher J., Brück, Thomas, Boden, Mikael, Waite, David W., Hugenholtz, Philip, Guddat, Luke and Schenk, Gerhard (2021). Kinetic and structural characterization of the first B3 metallo-β-lactamase with an active site glutamic acid. Antimicrobial Agents and Chemotherapy, 65 (10) e00936-21, e0093621. doi: 10.1128/aac.00936-21

Kinetic and structural characterization of the first B3 metallo-β-lactamase with an active site glutamic acid

2021

Journal Article

Rational design of potent inhibitors of a metallohydrolase using a fragment-based approach

Feder, Daniel, Mohd-Pahmi, Siti H., Hussein, Waleed M., Guddat, Luke W., McGeary, Ross P. and Schenk, Gerhard (2021). Rational design of potent inhibitors of a metallohydrolase using a fragment-based approach. ChemMedChem, 16 (21) cmdc.202100486, 3342-3359. doi: 10.1002/cmdc.202100486

Rational design of potent inhibitors of a metallohydrolase using a fragment-based approach

2021

Journal Article

Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels

Wang, Weiwei, Gao, Yan, Tang, Yanting, Zhou, Xiaoting, Lai, Yuezheng, Zhou, Shan, Zhang, Yuying, Yang, Xiuna, Liu, Fengjiang, Guddat, Luke W., Wang, Quan, Rao, Zihe and Gong, Hongri (2021). Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels. Nature Communications, 12 (1) 4621, 1-8. doi: 10.1038/s41467-021-24924-w

Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels

2021

Journal Article

Nucleotide analogues containing a pyrrolidine, piperidine or piperazine ring: synthesis and evaluation of inhibition of plasmodial and human 6-oxopurine phosphoribosyltransferases and in vitro antimalarial activity

Frydrych, Jan, Keough, Dianne T., Chavchich, Marina, Travis, Jye, Dračínský, Martin, Edstein, Michael D., Guddat, Luke W., Hocková, Dana and Janeba, Zlatko (2021). Nucleotide analogues containing a pyrrolidine, piperidine or piperazine ring: synthesis and evaluation of inhibition of plasmodial and human 6-oxopurine phosphoribosyltransferases and in vitro antimalarial activity. European Journal of Medicinal Chemistry, 219 113416, 1-18. doi: 10.1016/j.ejmech.2021.113416

Nucleotide analogues containing a pyrrolidine, piperidine or piperazine ring: synthesis and evaluation of inhibition of plasmodial and human 6-oxopurine phosphoribosyltransferases and in vitro antimalarial activity

2021

Journal Article

Acyclic nucleoside phosphonates with adenine nucleobase inhibit Trypanosoma brucei adenine phosphoribosyltransferase in vitro

Doleželová, Eva, Klejch, Tomáš, Špaček, Petr, Slapničková, Martina, Guddat, Luke, Hocková, Dana and Zíková, Alena (2021). Acyclic nucleoside phosphonates with adenine nucleobase inhibit Trypanosoma brucei adenine phosphoribosyltransferase in vitro. Scientific Reports, 11 (1) 13317, 1-27. doi: 10.1038/s41598-021-91747-6

Acyclic nucleoside phosphonates with adenine nucleobase inhibit Trypanosoma brucei adenine phosphoribosyltransferase in vitro