Outputs (51)

Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance (2021)
Journal Article
Schwarz, M., Eno, R. F., Freitag-Pohl, S., Coxon, C. R., Straker, H. E., Wortley, D. J., Hughes, D. J., Mitchell, G., Moore, J., Cummins, I., Onkokesung, N., Brazier-Hicks, M., Edwards, R., Pohl, E., & Steel, P. G. (2021). Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance. Organic and Biomolecular Chemistry, 19(42), 9211-9222. https://doi.org/10.1039/d1ob01802g

The evolution and growth of multiple-herbicide resistance (MHR) in grass weeds continues to threaten global cereal production. While various processes can contribute to resistance, earlier work has identified the phi class glutathione-S-transferase (... Read More about Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance.

Multiple Occurrences of a 168-Nucleotide Deletion in SARS-CoV-2 ORF8, Unnoticed by Standard Amplicon Sequencing and Variant Calling Pipelines (2021)
Journal Article
Brandt, D., Simunovic, M., Busche, T., Haak, M., Belmann, P., Jünemann, S., Schulz, T., Klages, L. J., Vinke, S., Beckstette, M., Pohl, E., Scherer, C., Sczyrba, A., & Kalinowski, J. (2021). Multiple Occurrences of a 168-Nucleotide Deletion in SARS-CoV-2 ORF8, Unnoticed by Standard Amplicon Sequencing and Variant Calling Pipelines. Viruses, 13(9), https://doi.org/10.3390/v13091870

Genomic surveillance of the SARS-CoV-2 pandemic is crucial and mainly achieved by amplicon sequencing protocols. Overlapping tiled-amplicons are generated to establish contiguous SARS-CoV-2 genome sequences, which enable the precise resolution of inf... Read More about Multiple Occurrences of a 168-Nucleotide Deletion in SARS-CoV-2 ORF8, Unnoticed by Standard Amplicon Sequencing and Variant Calling Pipelines.

Structure-functional relationship of cellular retinoic acid binding proteins I and II interacting with natural and synthetic ligands (2021)
Journal Article
Tomlinson, C. W., Cornish, K. A., Whiting, A., & Pohl, E. (2021). Structure-functional relationship of cellular retinoic acid binding proteins I and II interacting with natural and synthetic ligands. Acta Crystallographica Section D: Structural Biology, 77(2), 164-175. https://doi.org/10.1107/s2059798320015247

A detailed understanding of the interactions between small-molecule ligands and their proposed binding targets is of the utmost importance for modern drug-development programs. Cellular retinoic acid-binding proteins I and II (CRABPI and CRABPII) fac... Read More about Structure-functional relationship of cellular retinoic acid binding proteins I and II interacting with natural and synthetic ligands.

Crystal structure of the GDP-bound GTPase domain of Rab5a from Leishmania donovani (2020)
Journal Article
Zohib, M., Maheshwari, D., Pal, R. K., Freitag-Pohl, S., Biswal, B. K., Pohl, E., & Arora, A. (2020). Crystal structure of the GDP-bound GTPase domain of Rab5a from Leishmania donovani. Acta Crystallographica Section F: Structural Biology Communications, 76(11), 544-556. https://doi.org/10.1107/s2053230x20013722

Eukaryotic Rab5s are highly conserved small GTPase-family proteins that are involved in the regulation of early endocytosis. Leishmania donovani Rab5a regulates the sorting of early endosomes that are involved in the uptake of essential nutrients thr... Read More about Crystal structure of the GDP-bound GTPase domain of Rab5a from Leishmania donovani.

GSP4PDB: a web tool to visualize, search and explore protein-ligand structural patterns (2020)
Journal Article
Angles, R., Arenas-Salinas, M., García, R., Reyes-Suarez, J. A., & Pohl, E. (2020). GSP4PDB: a web tool to visualize, search and explore protein-ligand structural patterns. BMC Bioinformatics, 21(S2), Article 85. https://doi.org/10.1186/s12859-020-3352-x

Background: In the field of protein engineering and biotechnology, the discovery and characterization of structural patterns is highly relevant as these patterns can give fundamental insights into protein-ligand interaction and protein function. This... Read More about GSP4PDB: a web tool to visualize, search and explore protein-ligand structural patterns.

Obtaining Tertiary Protein Structures by the ab Initio Interpretation of Small Angle X-ray Scattering Data (2020)
Journal Article
Prior, C., Davies, O. R., Bruce, D., & Pohl, E. (2020). Obtaining Tertiary Protein Structures by the ab Initio Interpretation of Small Angle X-ray Scattering Data. Journal of Chemical Theory and Computation, 16(3), 1985-2001. https://doi.org/10.1021/acs.jctc.9b01010

Small angle X-ray scattering (SAXS) is an important tool for investigating the structure of proteins in solution. We present a novel ab initio method representing polypeptide chains as discrete curves used to derive a meaningful three-dimensional mod... Read More about Obtaining Tertiary Protein Structures by the ab Initio Interpretation of Small Angle X-ray Scattering Data.

Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS (2019)
Journal Article
Freitag-Pohl, S., Jasilionis, A., Håkansson, M., Svensson, L. A., Kovačič, R., Welin, M., Watzlawick, H., Wang, L., Altenbuchner, J., Płotka, M., Kaczorowska, A. K., Kaczorowski, T., Nordberg Karlsson, E., Al-Karadaghi, S., Walse, B., Aevarsson, A., & Pohl, E. (2019). Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS. Acta Crystallographica Section D: Structural Biology, 75(11), 1028-1039. https://doi.org/10.1107/s2059798319013330

For the extraction of the best possible X-ray diffraction data from macromolecular crystals, accurate positioning of the crystals with respect to the X-ray beam is crucial. In addition, information about the shape and internal defects of crystals all... Read More about Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS.

Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds (2019)
Journal Article
Tatum, N., Duarte, F., Kamerlin, S., & Pohl, E. (2019). Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. Journal of Physical Chemistry Letters, 10(9), 2244-2249. https://doi.org/10.1021/acs.jpclett.9b00741

Transcriptional repressor EthR from Mycobacterium tuberculosis is a valuable target for antibiotic booster drugs. We previously reported a virtual screening campaign to identify EthR inhibitors for development. Two ligand binding orientations were of... Read More about Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.

A unique dynamin-related protein is essential for mitochondrial fission in Toxoplasma gondii (2019)
Journal Article
Melatti, C., Pieperhoff, M., Lemgruber, L., Pohl, E., Sheiner, L., & Meissner, M. (2019). A unique dynamin-related protein is essential for mitochondrial fission in Toxoplasma gondii. PLoS Pathogens, 15(4), Article e1007512. https://doi.org/10.1371/journal.ppat.1007512

The single mitochondrion of apicomplexan protozoa is thought to be critical for all stages of the life cycle, and is a validated drug target against these important human and veterinary parasites. In contrast to other eukaryotes, replication of the m... Read More about A unique dynamin-related protein is essential for mitochondrial fission in Toxoplasma gondii.

How to Stabilize Protein: Stability Screens for Thermal Shift Assays and Nano Differential Scanning Fluorimetry in the Virus-X Project (2019)
Journal Article
Bruce, D., Cardew, E., Freitag-Pohl, S., & Pohl, E. (2019). How to Stabilize Protein: Stability Screens for Thermal Shift Assays and Nano Differential Scanning Fluorimetry in the Virus-X Project. Journal of Visualized Experiments, 144, Article e58666. https://doi.org/10.3791/58666

The Horizon2020 Virus-X project was established in 2015 to explore the virosphere of selected extreme biotopes and discover novel viral proteins. To evaluate the potential biotechnical value of these proteins, the analysis of protein structures and f... Read More about How to Stabilize Protein: Stability Screens for Thermal Shift Assays and Nano Differential Scanning Fluorimetry in the Virus-X Project.