All Outputs (48)

Structural requirements for the specific binding of CRABP2 to cyclin D3. (2024)
Journal Article
Pastok, M. W., Tomlinson, C. W. E., Turberville, S., Baslé, A., Butler, A. M., Noble, M. E. M., Endicott, J. A., Pohl, E., & Tatum, N. J. (online). Structural requirements for the specific binding of CRABP2 to cyclin D3. Structure, Article S0969-2126(24)00389-7. https://doi.org/10.1016/j.str.2024.09.020

Cellular retinoic acid binding protein 2 (CRABP2) transports retinoic acid from the cytoplasm to the nucleus where it then transfers its cargo to retinoic acid receptor-containing complexes leading to activation of gene transcription. We demonstrate... Read More about Structural requirements for the specific binding of CRABP2 to cyclin D3..

Toxoplasma ceramide synthases: Gene duplication, functional divergence, and roles in parasite fitness. (2023)
Journal Article
Koutsogiannis, Z., Mina, J. G., Albus, C. A., Kol, M. A., Holthuis, J. C. M., Pohl, E., & Denny, P. W. (2023). Toxoplasma ceramide synthases: Gene duplication, functional divergence, and roles in parasite fitness. FASEB Journal, 37(11), Article e23229. https://doi.org/10.1096/fj.202201603RRR

Toxoplasma gondii is an obligate, intracellular apicomplexan protozoan parasite of both humans and animals that can cause fetal damage and abortion and severe disease in the immunosuppressed. Sphingolipids have indispensable functions as signaling mo... Read More about Toxoplasma ceramide synthases: Gene duplication, functional divergence, and roles in parasite fitness..

Independent Membrane Binding Properties of the Caspase Generated Fragments of the Beaded Filament Structural Protein 1 (BFSP1) Involves an Amphipathic Helix (2023)
Journal Article
Jarrin, M., Kalligeraki, A. A., Uwineza, A., Cawood, C. S., Brown, A. P., Ward, E. N., Le, K., Freitag-Pohl, S., Pohl, E., Kiss, B., Tapodi, A., & Quinlan, R. A. (2023). Independent Membrane Binding Properties of the Caspase Generated Fragments of the Beaded Filament Structural Protein 1 (BFSP1) Involves an Amphipathic Helix. Cells, 12(12), Article 1580. https://doi.org/10.3390/cells12121580

Background: BFSP1 (beaded filament structural protein 1) is a plasma membrane, Aqua- 21 porin 0 (AQP0/MIP)-associated intermediate filament protein expressed in the eye lens. BFSP1 is 22 myristoylated, a post-translation modification that requires ca... Read More about Independent Membrane Binding Properties of the Caspase Generated Fragments of the Beaded Filament Structural Protein 1 (BFSP1) Involves an Amphipathic Helix.

Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis (2023)
Journal Article
Sowerby, K., Freitag-Pohl, S., Murillo, A. M., Silber, A. M., & Pohl, E. (2023). Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis. Acta Crystallographica Section D: Structural Biology, 79(6), 518-530. https://doi.org/10.1107/s2059798323003613

Chagas disease is a neglected tropical disease (NTD) caused by Trypanosoma cruzi, whilst leishmaniasis, which is caused by over 20 species of Leishmania, represents a group of NTDs endemic to most countries in the tropical and subtropical belt of the... Read More about Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.

AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase (2023)
Journal Article
Jasilionis, A., Plotka, M., Wang, L., Dorawa, S., Lange, J., Watzlawick, H., …Freitag‐Pohl, S. (2023). AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase. Protein Science, 32(3), Article e4585. https://doi.org/10.1002/pro.4585

Bacteriophages encode a wide variety of cell wall disrupting enzymes that aid the viral escape in the final stages of infection. These lytic enzymes have accumulated notable interest due to their potential as novel antibacterials for infection treatm... Read More about AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase.

CPR-C4 is a highly conserved novel protease from the Candidate Phyla Radiation with remote structural homology to human vasohibins (2022)
Journal Article
Cornish, K. A., Lange, J., Aevarsson, A., & Pohl, E. (2022). CPR-C4 is a highly conserved novel protease from the Candidate Phyla Radiation with remote structural homology to human vasohibins. Journal of Biological Chemistry, 298(5), Article 101919. https://doi.org/10.1016/j.jbc.2022.101919

The Candidate Phyla Radiation is a recently uncovered and vast expansion of the bacterial domain of life, made up of largely uncharacterized phyla that lack isolated representatives. This unexplored territory of genetic diversity presents an abundanc... Read More about CPR-C4 is a highly conserved novel protease from the Candidate Phyla Radiation with remote structural homology to human vasohibins.

Chalcones identify cTXNPx as a potential antileishmanial drug target (2021)
Journal Article
Escrivani, D. O., Charlton, R. L., Caruso, M. B., Burle-Caldas, G. A., Borsodi, M. P. G., Zingali, R. B., …Steel, P. G. (2021). Chalcones identify cTXNPx as a potential antileishmanial drug target. PLoS Neglected Tropical Diseases, 15(11), Article e0009951. https://doi.org/10.1371/journal.pntd.0009951

With current drug treatments failing due to toxicity, low efficacy and resistance; leishmaniasis is a major global health challenge that desperately needs new validated drug targets. Inspired by activity of the natural chalcone 2’,6’-dihydroxy-4’-met... Read More about Chalcones identify cTXNPx as a potential antileishmanial drug target.

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., …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., …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., …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.

Fluorescent retinoic acid analogues as probes for biochemical and intracellular characterization of retinoid signalling pathways (2019)
Journal Article
Chisholm, D., Tomlinson, C., Zhou, G., Holden, C., Affleck, V., Lamb, R., …Pohl, E. (2019). Fluorescent retinoic acid analogues as probes for biochemical and intracellular characterization of retinoid signalling pathways. ACS Chemical Biology, 14(3), 369-377. https://doi.org/10.1021/acschembio.8b00916

Retinoids, such as all-trans-retinoic acid (ATRA), are endogenous signalling molecules derived from Vitamin A that influ-ence a variety of cellular processes through mediation of transcription events in the cell nucleus. Due to these wide-ranging and... Read More about Fluorescent retinoic acid analogues as probes for biochemical and intracellular characterization of retinoid signalling pathways.

A novel fluorescence competition assay for retinoic acid binding proteins (2018)
Journal Article
Tomlinson, C. W., Chisholm, D. R., Valentine, R., Whiting, A., & Pohl, E. (2018). A novel fluorescence competition assay for retinoic acid binding proteins. ACS Medicinal Chemistry Letters, 9(12), 1297–1300-1300. https://doi.org/10.1021/acsmedchemlett.8b00420

Vitamin A derived retinoid compounds have multiple, powerful roles in the cellular growth and development cycle, and as a result have attracted significant attention from both academic and pharmaceutical research in developing and characterizing synt... Read More about A novel fluorescence competition assay for retinoic acid binding proteins.

The Calcium-dependent protein kinase 1 from Toxoplasma gondii as target for structure-based drug design (2017)
Journal Article
Cardew, E., Verlinde, C., & Pohl, E. (2018). The Calcium-dependent protein kinase 1 from Toxoplasma gondii as target for structure-based drug design. Parasitology, 145(2), 210-218. https://doi.org/10.1017/s0031182017001901

The apicomplexan protozoan parasites include the causative agents of animal and human diseases ranging from malaria (Plasmodium spp.) to toxoplasmosis (Toxoplasma gondii). The complex life cycle of T. gondii is regulated by a unique family of calcium... Read More about The Calcium-dependent protein kinase 1 from Toxoplasma gondii as target for structure-based drug design.