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2018 Journal Article Fragment-based approach to targeting inosine-5'-monophosphate dehydrogenase (IMPDH) from Mycobacterium tuberculosisTrapero, Ana, Pacitto, Angela, Singh, Vinayak, Sabbah, Mohamad, Coyne, Anthony G, Mizrahi, Valerie, Blundell, Tom L, Ascher, David B and Abell, Chris (2018). Fragment-based approach to targeting inosine-5'-monophosphate dehydrogenase (IMPDH) from Mycobacterium tuberculosis. Journal of Medicinal Chemistry, 61 (7), 2806-2822. doi: 10.1021/acs.jmedchem.7b01622 |
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2018 Journal Article Structural implications of mutations conferring rifampin resistance in Mycobacterium lepraeVedithi, Sundeep Chaitanya, Malhotra, Sony, Das, Madhusmita, Daniel, Sheela, Kishore, Nanda, George, Anuja, Arumugam, Shantha, Rajan, Lakshmi, Ebenezer, Mannam, Ascher, David B, Arnold, Eddy and Blundell, Tom L (2018). Structural implications of mutations conferring rifampin resistance in Mycobacterium leprae. Scientific Reports, 8 (1) 5016. doi: 10.1038/s41598-018-23423-1 |
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2018 Journal Article Evolution of carbapenem resistance in Acinetobacter baumannii during a prolonged infectionHawkey, Jane, Ascher, David B, Judd, Louise M, Wick, Ryan R, Kostoulias, Xenia, Cleland, Heather, Spelman, Denis W, Padiglione, Alex, Peleg, Anton Y and Holt, Kathryn E (2018). Evolution of carbapenem resistance in Acinetobacter baumannii during a prolonged infection. Microbial Genomics, 4 (3) 000165. doi: 10.1099/mgen.0.000165 |
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2018 Book Chapter Prediction and optimization of pharmacokinetic and toxicity properties of the ligandPires, Douglas E. V., Kaminskas, Lisa M. and Ascher, David B. (2018). Prediction and optimization of pharmacokinetic and toxicity properties of the ligand. Computational Drug Discovery and Design. (pp. 271-284) New York, NY United States: Humana Press. doi: 10.1007/978-1-4939-7756-7_14 |
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2017 Journal Article A computational approach from gene to structure analysis of the human ABCA4 transporter involved in genetic retinal diseasesTrezza, Alfonso, Bernini, Andrea, Langella, Andrea, Ascher, David B, Pires, Douglas E V, Sodi, Andrea, Passerini, Ilaria, Pelo, Elisabetta, Rizzo, Stanislao, Niccolai, Neri and Spiga, Ottavia (2017). A computational approach from gene to structure analysis of the human ABCA4 transporter involved in genetic retinal diseases. Investigative Ophthalmology and Visual Science, 58 (12), 5320-5328. doi: 10.1167/iovs.17-22158 |
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2017 Journal Article Optimizing genomic medicine in epilepsy through a gene-customized approach to missense variant interpretationTraynelis, Joshua, Silk, Michael, Wang, Quanli, Berkovic, Samuel F, Liu, Liping, Ascher, David B, Balding, David J and Petrovski, Slavé (2017). Optimizing genomic medicine in epilepsy through a gene-customized approach to missense variant interpretation. Genome Research, 27 (10), 1715-1729. doi: 10.1101/gr.226589.117 |
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2017 Journal Article Mutations at protein-protein interfaces: small changes over big surfaces have large impacts on human healthJubb, Harry C, Pandurangan, Arun P, Turner, Meghan A, Ochoa-Montaño, Bernardo, Blundell, Tom L and Ascher, David B (2017). Mutations at protein-protein interfaces: small changes over big surfaces have large impacts on human health. Progress in Biophysics and Molecular Biology, 128, 3-13. doi: 10.1016/j.pbiomolbio.2016.10.002 |
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2017 Journal Article Combating mutations in genetic disease and drug resistance: understanding molecular mechanisms to guide drug designAlbanaz, Amanda T S, Rodrigues, Carlos H M, Pires, Douglas E V and Ascher, David B (2017). Combating mutations in genetic disease and drug resistance: understanding molecular mechanisms to guide drug design. Expert Opinion on Drug Discovery, 12 (6), 553-563. doi: 10.1080/17460441.2017.1322579 |
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2017 Journal Article SDM: a server for predicting effects of mutations on protein stabilityPandurangan, Arun Prasad, Ochoa-Montaño, Bernardo, Ascher, David B. and Blundell, Tom L. (2017). SDM: a server for predicting effects of mutations on protein stability. Nucleic Acids Research, 45 (W1), W229-W235. doi: 10.1093/nar/gkx439 |
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2017 Journal Article DNA-PKcs, allostery, and DNA double-strand break repair: defining the structure and setting the stageChirgadze, Dimitri Y, Ascher, David B, Blundell, Tom L and Sibanda, Bancinyane L (2017). DNA-PKcs, allostery, and DNA double-strand break repair: defining the structure and setting the stage. Methods in Enzymology, 592, 145-157. doi: 10.1016/bs.mie.2017.04.001 |
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2017 Journal Article Dimeric but not monomeric α-lactalbumin potentiates apoptosis by up regulation of ATF3 and reduction of histone deacetylase activity in primary and immortalised cellsSharp, Julie A, Brennan, Amelia J, Polekhina, Galina, Ascher, David B, Lefevre, Christophe and Nicholas, Kevin R (2017). Dimeric but not monomeric α-lactalbumin potentiates apoptosis by up regulation of ATF3 and reduction of histone deacetylase activity in primary and immortalised cells. Cellular Signalling, 33, 86-97. doi: 10.1016/j.cellsig.2017.02.007 |
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2017 Journal Article SDHA related tumorigenesis: a new case series and literature review for variant interpretation and pathogenicityCasey, Ruth T, Ascher, David B, Rattenberry, Eleanor, Izatt, Louise, Andrews, Katrina A, Simpson, Helen L, Challis, Benjamen, Park, Soo-Mi, Bulusu, Venkata R, Lalloo, Fiona, Pires, Douglas E V, West, Hannah, Clark, Graeme R, Smith, Philip S, Whitworth, James, Papathomas, Thomas G, Taniere, Phillipe, Savisaar, Rosina, Hurst, Laurence D, Woodward, Emma R and Maher, Eamonn R (2017). SDHA related tumorigenesis: a new case series and literature review for variant interpretation and pathogenicity. Molecular Genetics and Genomic Medicine, 5 (3), 237-250. doi: 10.1002/mgg3.279 |
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2017 Journal Article Huntingtin inclusions trigger cellular quiescence, deactivate apoptosis, and lead to delayed necrosisRamdzan, Yasmin M., Trubetskov, Mikhail M., Ormsby, Angelique R., Newcombe, Estella A., Sui, Xiaojing, Tobin, Mark J., Bongiovanni, Marie N., Gras, Sally L., Dewson, Grant, Miller, Jason M. L., Finkbeiner, Steven, Moily, Nagaraj S., Niclis, Jonathan, Parish, Clare L., Purcell, Anthony W., Baker, Michael J., Wilce, Jacqueline A., Waris, Saboora, Stojanovski, Diana, Bocking, Till, Ang, Ching-Seng, Ascher, David B., Reid, Gavin E. and Hatters, Danny M. (2017). Huntingtin inclusions trigger cellular quiescence, deactivate apoptosis, and lead to delayed necrosis. Cell Reports, 19 (5), 919-927. doi: 10.1016/j.celrep.2017.04.029 |
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2017 Journal Article Genomes, structural biology and drug discovery: combating the impacts of mutations in genetic disease and antibiotic resistancePandurangan, Arun Prasad, Ascher, David B., Thomas, Sherine E. and Blundell, Tom L. (2017). Genomes, structural biology and drug discovery: combating the impacts of mutations in genetic disease and antibiotic resistance. Biochemical Society Transactions, 45 (2), 303-311. doi: 10.1042/BST20160422 |
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2017 Journal Article mCSM–NA: predicting the effects of mutations on protein–nucleic acids interactionsPires, Douglas E.V. and Ascher, David B. (2017). mCSM–NA: predicting the effects of mutations on protein–nucleic acids interactions. Nucleic Acids Research, 45 (W1), W241-W246. doi: 10.1093/nar/gkx236 |
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2017 Journal Article Familial germline mutation defines a new human cohesinopathySoardi, Fernanda C, Machado-Silva, Alice, Linhares, Natália D, Zheng, Ge, Qu, Qianhui, Pena, Heloísa B, Martins, Thaís M M, Vieira, Helaine G S, Pereira, Núbia B, Melo-Minardi, Raquel C, Gomes, Carolina C, Gomez, Ricardo S, Gomes, Dawidson A, Pires, Douglas E V, Ascher, David B, Yu, Hongtao and Pena, Sérgio D J (2017). Familial germline mutation defines a new human cohesinopathy. NPJ Genomic Medicine, 2 (1) 7. doi: 10.1038/s41525-017-0009-4 |
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2017 Journal Article Arpeggio: a web server for calculating and visualising interatomic interactions in protein structuresJubb, Harry C, Higueruelo, Alicia P, Ochoa-Montaño, Bernardo, Pitt, Will R, Ascher, David B and Blundell, Tom L (2017). Arpeggio: a web server for calculating and visualising interatomic interactions in protein structures. Journal of Molecular Biology, 429 (3), 365-371. doi: 10.1016/j.jmb.2016.12.004 |
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2017 Journal Article DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repairSibanda, Bancinyane L, Chirgadze, Dimitri Y, Ascher, David B and Blundell, Tom L (2017). DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair. Science, 355 (6324), 520-524. doi: 10.1126/science.aak9654 |
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2017 Journal Article Glutathione transferase P1-1 as an arsenic drug-sequestering enzymeParker, Lorien J., Bocedi, Alessio, Ascher, David B., Aitken, Jade B., Harris, Hugh H., Lo Bello, Mario, Ricci, Giorgio, Morton, Craig J. and Parker, Michael W. (2017). Glutathione transferase P1-1 as an arsenic drug-sequestering enzyme. Protein Science, 26 (2), 317-326. doi: 10.1002/pro.3084 |
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2017 Journal Article The inosine monophosphate dehydrogenase, GuaB2, is a vulnerable new bactericidal drug target for tuberculosisSingh, Vinayak, Donini, Stefano, Pacitto, Angela, Sala, Claudia, Hartkoorn, Ruben C., Dhar, Neeraj, Keri, Gyorgy, Ascher, David B., Mondésert, Guillaume, Vocat, Anthony, Lupien, Andréanne, Sommer, Raphael, Vermet, Hélène, Lagrange, Sophie, Buechler, Joe, Warner, Digby F., McKinney, John D., Pato, Janos, Cole, Stewart T., Blundell, Tom L., Rizzi, Menico and Mizrahi, Valerie (2017). The inosine monophosphate dehydrogenase, GuaB2, is a vulnerable new bactericidal drug target for tuberculosis. ACS Infectious Diseases, 3 (1), 5-17. doi: 10.1021/acsinfecdis.6b00102 |
