Biological Chemistry and Drug Discovery

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2020

A platform for target prediction of phenotypic screening hit molecules

Homeyer, N., van Deursen, R., Ochoa-Montaño, B., Heikamp, K., Ray, P., Zuccotto, F., Blundell, T. L. & Gilbert, I. H., Mar 2020, In : Journal of Molecular Graphics & Modelling. 95, p. 1-9 9 p., 107485.

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A uniquely complex mitochondrial proteome from Euglena gracilis

Hammond, M. J., Nenarokova, A., Butenko, A., Zoltner, M., Lacová Dobáková, E., Field, M. & Lukeš, J., 11 Mar 2020, In : Molecular Biology and Evolution.

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CAP-MAP: cap analysis protocol with minimal analyte processing, a rapid and sensitive approach to analysing mRNA cap structures

Galloway, A., Atrih, A., Grzela, R., Darzynkiewicz, E., Ferguson, M. A. J. & Cowling, V. H., 26 Feb 2020, In : Open Biology. 10, 2, p. 1-13 13 p., 190306.

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Discovery and Optimization of a Compound Series Active against Trypanosoma cruzi, the Causative Agent of Chagas Disease

Harrison, J. R., Sarkar, S., Hampton, S., Riley, J., Stojanovski, L., Sahlberg, C., Appelqvist, P., Erath, J., Mathan, V., Rodriguez, A., Kaiser, M., Pacanowska, D. G., Read, K. D., Johansson, N. G. & Gilbert, I. H., 26 Mar 2020, In : Journal of Medicinal Chemistry. 63, 6, p. 3066-3089 24 p.

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Diversification of CORVET tethers facilitates transport complexity in Tetrahymena thermophila

Sparvoli, D., Zoltner, M., Cheng, C-Y., Field, M. C. & Turkewitz, A., 12 Feb 2020, In : Journal of Cell Science. 133, 3, p. 1-18 18 p., jcs238659.

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Identification of small and large genomic candidate variants in bovine pulmonary hypoplasia and anasarca syndrome

Häfliger, I. M., Wiedemar, N., Švara, T., Starič, J., Cociancich, V., Šest, K., Gombač, M., Paller, T., Agerholm, J. S. & Drögemüller, C., 18 Feb 2020, In : Animal Genetics.

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New 8-nitroquinolinone derivative displaying submicromolar in vitro activities against both Trypanosoma brucei and cruzi

Pedron, J., Boudot, C., Brossas, J., Pinault, E., Bourgeade-Delmas, S., Sournia-Saquet, A., Boutet-Robinet, E., Destere, A., Tronnet, A., Bergé, J., Bonduelle, C., Deraeve, C., Pratviel, G., Stigliani, J-L., Paris, L., Mazier, D., Corvaisier, S., Since, M., Malzert-Freon, A., Wyllie, S. & 5 others, Milne, R., Fairlamb, A. H., Valentin, A., Courtioux, B. & Verhaeghe, P., 6 Feb 2020, In : ACS Medicinal Chemistry Letters.

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PE/PPE proteins mediate nutrient transport across the outer membrane of Mycobacterium tuberculosis

Wang, Q., Boshoff, H. I. M., Harrison, J. R., Ray, P. C., Green, S. R., Wyatt, P. G. & Barry, C. E., 6 Mar 2020, In : Science. 367, 6482, p. 1147-1151 5 p.

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Plasmodium Condensin Core Subunits SMC2/SMC4 Mediate Atypical Mitosis and Are Essential for Parasite Proliferation and Transmission

Pandey, R., Abel, S., Boucher, M., Wall, R. J., Zeeshan, M., Rea, E., Freville, A., Lu, X. M., Brady, D., Daniel, E., Stanway, R. R., Wheatley, S., Batugedara, G., Hollin, T., Bottrill, A. R., Gupta, D., Holder, A. A., Le Roch, K. G. & Tewari, R., 11 Feb 2020, In : Cell Reports. 30, 6, p. 1883-1897.e6 22 p.

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Setting our sights on infectious diseases

De Rycker, M., Horn, D., Aldridge, B., Amewu, R. K., Barry, C. E., Buckner, F. S., Cook, S., Ferguson, M. A. J., Gobeau, N., Herrmann, J., Herrling, P., Hope, W., Keiser, J., Lafuente-Monasterio, M. J., Leeson, P. D., Leroy, D., Manjunatha, U. H., McCarthy, J., Miles, T. J., Mizrahi, V. & 17 others, Moshynets, O., Niles, J., Overington, J. P., Pottage, J., Rao, S. P. S., Read, K. D., Ribeiro, I., Silver, L. L., Southern, J., Spangenberg, T., Sundar, S., Taylor, C., Van Voorhis, W. C., White, N. J., Wyllie, S., Wyatt, P. G. & Gilbert, I. H., 10 Jan 2020, In : ACS Infectious Diseases. 6, p. 3-13 11 p.

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The Identification and characterisation of autophagy inhibitors from the published kinase inhibitor sets

Zachari, M., Rainard, J. M., Pandarakalam, G. C., Robinson, L., Gillespie, J., Rajamanickam, M., Hamon, V., Morrison, A., Ganley, I. G. & McElroy, S. P., 27 Feb 2020, In : Biochemical Journal. 477, 4, p. 801-814 14 p.

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The Plasmodium falciparum Artemisinin Susceptibility-Associated AP-2 Adaptin μ Subunit is Clathrin Independent and Essential for Schizont Maturation

Henrici, R. C., Edwards, R. L., Zoltner, M., van Schalkwyk, D. A., Hart, M. N., Mohring, F., Moon, R. W., Nofal, S. D., Patel, A., Flueck, C., Baker, D. A., Odom John, A. R., Field, M. C. & Sutherland, C. J., 25 Feb 2020, In : MBio. 11, 1, p. 1-16 16 p., e02918-19.

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The Qi Site of Cytochrome b is a Promiscuous Drug Target in Trypanosoma cruzi and Leishmania donovani: ACS Infectious Diseases

Wall, R. J., Carvalho, S., Milne, R., Bueren-Calabuig, J. A., Moniz, S., Cantizani-Perez, J., MacLean, L., Kessler, A., Cotillo, I., Sastry, L., Manthri, S., Patterson, S., Zuccotto, F., Thompson, S., Martin, J., Marco, M., Miles, T. J., De Rycker, M., Thomas, M. G., Fairlamb, A. H. & 2 others, Gilbert, I. H. & Wyllie, S., 13 Mar 2020, In : ACS Infectious Diseases. 6, 3, p. 515-528 14 p.

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2019

A chemical-genetics approach to study the role of atypical Protein Kinase C in Drosophila

Hannaford, M., Loyer, N., Tonelli, F., Zoltner, M. & Januschke, J., 29 Jan 2019, In : Development. 146, 2, p. 1-11 11 p., dev170589.

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4 Citations (Scopus)
130 Downloads (Pure)

A high-throughput screen for the identification of compounds that inhibit nematode gene expression by targeting spliced leader trans-splicing

Pandarakalam, G. C., Speake, M., McElroy, S., Alturkistani, A., Philippe, L., Pettitt, J., Müller, B. & Connolly, B., Aug 2019, In : International Journal for Parasitology: Drugs and Drug Resistance. 10, p. 28-37 10 p.

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A minimally invasive tool to study immune response and skin barrier in children with atopic dermatitis

Hulshof, L., Hack, D. P., Hasnoe, Q. C. J., Dontje, B., Jakasa, I., Riethmüller, C., McLean, W. H. I., van Aalderen, W. M. C., Van't Land, B., Kezic, S., Sprikkelman, A. B. & Middelkamp-Hup, M. A., Mar 2019, In : British Journal of Dermatology. 180, 3, p. 621-630 10 p.

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8 Citations (Scopus)
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Amino acid substitutions in the human homomeric β3 GABAA receptor that enable activation by GABA

Gottschald Chiodi, C., Baptista-Hon, D., Hunter, W. & Hales, T., 15 Feb 2019, In : Journal of Biological Chemistry. 294, 7, p. 2375-2385 11 p.

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An Extensively Humanized Mouse Model to Predict Pathways of Drug Disposition and Drug/Drug Interactions, and to Facilitate Design of Clinical Trials

Henderson, C. J., Kapelyukh, Y., Scheer, N., Rode, A., McLaren, A., MacLeod, K., Lin, D., Wright, J., Stanley, L. A. & Wolf, C. R., Jun 2019, In : Drug Metabolism and Disposition. 47, 6, p. 601-615 15 p.

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2 Citations (Scopus)
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A post-transcriptional respiratome regulon in trypanosomes

Trenaman, A., Glover, L., Hutchinson, S. & Horn, D., 26 Jul 2019, In : Nucleic Acids Research. 47, 13, p. 7063-7077 15 p.

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Author Correction: Landscape of somatic mutations in 560 breast cancer whole-genome sequences

Nik-Zainal, S., Davies, H., Staaf, J., Ramakrishna, M., Glodzik, D., Zou, X., Martincorena, I., Alexandrov, L. B., Martin, S., Wedge, D. C., Van Loo, P., Ju, Y. S., Smid, M., Brinkman, A. B., Morganella, S., Aure, M. R., Lingjærde, O. C., Langerød, A., Ringnér, M., Ahn, S-M. & 68 others, Boyault, S., Brock, J. E., Broeks, A., Butler, A., Desmedt, C., Dirix, L., Dronov, S., Fatima, A., Foekens, J. A., Gerstung, M., Hooijer, G. K. J., Jang, S. J., Jones, D. R., Kim, H-Y., King, T. A., Krishnamurthy, S., Lee, H. J., Lee, J-Y., Li, Y., McLaren, S., Menzies, A., Mustonen, V., O'Meara, S., Pauporté, I., Pivot, X., Purdie, C. A., Raine, K., Ramakrishnan, K., Rodríguez-González, F. G., Romieu, G., Sieuwerts, A. M., Simpson, P. T., Shepherd, R., Stebbings, L., Stefansson, O. A., Teague, J., Tommasi, S., Treilleux, I., Van den Eynden, G. G., Vermeulen, P., Vincent-Salomon, A., Yates, L., Caldas, C., Van't Veer, L., Tutt, A., Knappskog, S., Tan, B. K. T., Jonkers, J., Borg, Å., Ueno, N. T., Sotiriou, C., Viari, A., Futreal, P. A., Campbell, P. J., Span, P. N., Van Laere, S., Lakhani, S. R., Eyfjord, J. E., Thompson, A. M., Birney, E., Stunnenberg, H. G., van de Vijver, M. J., Martens, J. W. M., Børresen-Dale, A-L., Richardson, A. L., Kong, G., Thomas, G. & Stratton, M. R., 7 Feb 2019, In : Nature. 566, 7742, p. E1 1 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design

Farnaby, W., Koegl, M., Roy, M. J., Whitworth, C., Diers, E., Trainor, N., Zollman, D., Steurer, S., Karolyi-Oezguer, J., Riedmueller, C., Gmaschitz, T., Wachter, J., Dank, C., Galant, M., Sharps, B., Rumpel, K., Traxler, E., Gerstberger, T., Schnitzer, R., Petermann, O. & 17 others, Greb, P., Weinstabl, H., Bader, G., Zoephel, A., Weiss-Puxbaum, A., Ehrenhöfer-Wölfer, K., Wöhrle, S., Boehmelt, G., Rinnenthal, J., Arnhof, H., Wiechens, N., Wu, M-Y., Owen-Hughes, T., Ettmayer, P., Pearson, M., McConnell, D. B. & Ciulli, A., Jul 2019, In : Nature Chemical Biology. 15, 7, p. 672-680 9 p.

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24 Citations (Scopus)
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Cereblon versus VHL: Hijacking E3 ligases against each other using PROTACs

Girardini, M., Maniaci, C., Hughes, S., Testa, A. & Ciulli, A., 15 Jun 2019, In : Bioorganic & Medicinal Chemistry. 27, 12, p. 2466-2479 14 p.

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7 Citations (Scopus)

Characterising Covalent Warhead Reactivity

Martin, J., Mackenzie, C., Fletcher, D. & Gilbert, I., 15 May 2019, In : Bioorganic & Medicinal Chemistry. 27, 10, p. 2066-2074 9 p.

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Chemogenomic Profiling of Antileishmanial Efficacy and Resistance in the Related Kinetoplastid Parasite Trypanosoma brucei

Collett, C. F., Kitson, C., Baker, N., Steele-Stallard, H. B., Santrot, M-V., Hutchinson, S., Horn, D. & Alsford, S., Aug 2019, In : Antimicrobial Agents and Chemotherapy. 63, 8, p. 1-19 19 p., e00795-19.

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Design and Characterization of SGK3-PROTAC1, an Isoform Specific SGK3 Kinase PROTAC Degrader

Tovell, H., Testa, A., Zhou, H., Shpiro, N., Crafter, C., Ciulli, A. & Alessi, D., 20 Sep 2019, In : ACS Chemical Biology. 14, 9, p. 2024-2034 11 p.

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4 Citations (Scopus)
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Differentiation-Induced Remodelling of Store-Operated Calcium Entry Is Independent of Neuronal or Glial Phenotype but Modulated by Cellular Context

Whitworth, C. L., Redfern, C. P. F. & Cheek, T. R., 1 Feb 2019, In : Molecular Neurobiology. 56, 2, p. 857-872 16 p.

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2 Citations (Scopus)
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2 Citations (Scopus)
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Eat, play, learn well-a novel approach to co-production and analysis grid for environments linked to obesity to engage local communities in a child healthy weight action plan

Gillespie, J., Magee, E., White, A. & Stewart, L., Jan 2019, In : Public Health. 166, p. 99-107 9 p.

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Engineering a surrogate human heteromeric α/β glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein

Dawson, A., Trumper, P., de Souza, J. O., Parker, H., Jones, M. J., Hales, T. G. & Hunter, W. N., 1 Nov 2019, In : IUCrJ. 6, Part 6, p. 1014-1023 10 p.

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2 Citations (Scopus)
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Evolution of late steps in exocytosis: conservation and specialization of the exocyst complex

Boehm, C. & Field, M. C., 26 Jul 2019, In : Wellcome Open Research. 4, p. 1-19 19 p., 112.

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Expression of a specific variant surface glycoprotein has a major impact on suramin sensitivity and endocytosis in Trypanosoma brucei

Wiedemar, N., Zwyer, M., Zoltner, M., Cal, M., Field, M. C. & Mäser, P., Oct 2019, In : FASEB bioAdvances. 1, 10, p. 595-608 14 p.

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Fexinidazole for the treatment of human African trypanosomiasis

Fairlamb, A., Dec 2019, In : Drugs of Today . 55, 11, p. 705-712 8 p., 705.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Filaggrin gene loss-of-function mutations constitute a factor in patients with multiple contact allergies

Elhaji, Y., Sasseville, D., Pratt, M., Asai, Y., Matheson, K., McLean, W. H. I. & Hull, P., Jun 2019, In : Contact Dermatitis. 80, 6, p. 354-358 5 p.

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2 Citations (Scopus)
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Genetic ablation of purine salvage in Cryptosporidium parvum reveals nucleotide uptake from the host cell

Pawlowic, M., Somepalli, M., Sateriale, A., Herbert, G. T., Gibson, A., Cuny, G. D., Hedstrom, L. & Striepen, B., 30 Sep 2019, In : Proceedings of the National Academy of Sciences. 6 p.

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Genome-wide association study of inhaled corticosteroid response in admixed children with asthma

Hernandez-Pacheco, N., Farzan, N., Francis, B., Karimi, L., Repnik, K., Vijverberg, S. J., Soares, P., Schieck, M., Gorenjak, M., Forno, E., Eng, C., Oh, S. S., Pérez-Méndez, L., Berce, V., Tavendale, R., Samedy, L. A., Hunstman, S., Hu, D., Meade, K., Farber, H. J. & 21 others, Avila, P. C., Serebrisky, D., Thyne, S. M., Brigino-Buenaventura, E., Rodriguez-Cintron, W., Sen, S., Kumar, R., Lenoir, M., Rodriguez-Santana, J. R., Celedón, J. C., Mukhopadhyay, S., Potočnik, U., Pirmohamed, M., Verhamme, K. M., Kabesch, M., Palmer, C. N. A., Hawcutt, D. B., Flores, C., van der Zee, A. H. M., Burchard, E. G. & Pino-Yanes, M., Jun 2019, In : Clinical and Experimental Allergy. 49, 6, p. 789-798 10 p.

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4 Citations (Scopus)
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High-Level Expression in Escherichia coli, Purification and Kinetic Characterization of LAPTc, a Trypanosoma cruzi M17-Aminopeptidase

Izquierdo, M., Aguado, M. E., Zoltner, M. & González-Bacerio, J., Apr 2019, In : Protein Journal. 38, 2, p. 167-180 14 p.

Research output: Contribution to journalArticle

Highly Selective PTK2 Proteolysis Targeting Chimeras to Probe Focal Adhesion Kinase Scaffolding Functions

Popow, J., Arnhof, H., Bader, G., Berger, H., Ciulli, A., Covini, D., Dank, C., Gmaschitz, T., Greb, P., Karolyi-Özguer, J., Koegl, M., McConnell, D. B., Pearson, M., Rieger, M., Rinnenthal, J., Roessler, V., Schrenk, A., Spina, M., Steurer, S., Trainor, N. & 4 others, Traxler, E., Wieshofer, C., Zoephel, A. & Ettmayer, P., 14 Mar 2019, In : Journal of Medicinal Chemistry. 62, 5, p. 2508–2520 13 p.

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11 Citations (Scopus)
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Human and computational models of atopic dermatitis: A review and perspectives by an expert panel of the International Eczema Council

Eyerich, K., Brown, S. J., Perez White, B. E., Tanaka, R. J., Bissonette, R., Dhar, S., Bieber, T., Hijnen, D. J., Guttman-Yassky, E., Irvine, A., Thyssen, J. P., Vestergaard, C., Werfel, T., Wollenberg, A., Paller, A. S. & Reynolds, N. J., 1 Jan 2019, In : Journal of Allergy and Clinical Immunology. 143, 1, p. 36-45 10 p.

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6 Citations (Scopus)
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Identification of A Novel Class of Benzofuran Oxoacetic Acid-Derived Ligands that Selectively Activate Cellular EPAC1

Beck, E. M., Parnell, E., Cowley, A., Porter, A., Gillespie, J., Robinson, J., Robinson, L., Pannifer, A. D., Hamon, V., Jones, P., Morrison, A., McElroy, S., Timmerman, M., Rutjes, H., Mahajan, P., Wiejak, J., Luchowska-Stańska, U., Morgan, D., Barker, G., Rehmann, H. & 1 others, Yarwood, S. J., Nov 2019, In : Cells. 8, 11, p. 1-18 18 p., 1468.

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Identification of GSK3186899/DDD853651 as a Preclinical Development Candidate for the Treatment of Visceral Leishmaniasis

Thomas, M. G., De Rycker, M., Ajakane, M., Albrecht, S., Álvarez-Pedraglio, A. I., Boesche, M., Brand, S., Campbell, L., Cantizani-Perez, J., Cleghorn, L. A. T., Copley, R. C. B., Crouch, S. D., Daugan, A., Drewes, G., Ferrer, S., Ghidelli-Disse, S., Gonzalez, S., Gresham, S. L., Hill, A. P., Hindley, S. J. & 32 others, Lowe, R. M., MacKenzie, C. J., MacLean, L., Manthri, S., Martin, F., Miguel-Siles, J., Nguyen, V. L., Norval, S., Osuna-Cabello, M., Woodland, A., Patterson, S., Pena, I., Quesada-Campos, M. T., Reid, I. H., Revill, C., Riley, J., Ruiz-Gomez, J. R., Shishikura, Y., Simeons, F. R. C., Smith, A., Smith, V. C., Spinks, D., Stojanovski, L., Thomas, J., Thompson, S., Underwood, T., Gray, D. W., Fiandor, J. M., Gilbert, I. H., Wyatt, P. G., Read, K. D. & Miles, T. J., 14 Feb 2019, In : Journal of Medicinal Chemistry. 62, 3, p. 1180-1202 23 p.

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4 Citations (Scopus)
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Identification of inhibitors of an unconventional Trypanosoma brucei kinetochore kinase

Torrie, L., Zuccotto, F., Robinson, D., Gray, D., Gilbert, I. & De Rycker, M., 31 May 2019, In : PLoS ONE. 14, 5, p. 1-16 16 p., e0217828.

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Identification of Leishmania major UDP-Sugar Pyrophosphorylase Inhibitors Using Biosensor-Based Small Molecule Fragment Library Screening

Prakash, O., Führing, J., Post, J., Shepherd, S. M., Eadsforth, T. C., Gray, D., Fedorov, R. & Routier, F. H., 12 Mar 2019, In : Molecules and Cells. 24, 5, p. 1-16 16 p., 996.

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3 Citations (Scopus)
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Identification of Novel Trypanosoma cruzi Proteasome Inhibitors Using a Luminescence-Based High-Throughput Screening Assay

Zmuda, F., Sastry, L., Shepherd, S. M., Jones, D., Scott, A., Craggs, P. D., Cortes, A., Gray, D. W., Torrie, L. S. & De Rycker, M., Sep 2019, In : Antimicrobial Agents and Chemotherapy. 63, 9, p. 1-15 15 p., e00309-19.

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Inhibition of CorA dependent Magnesium Homeostasis is cidal in Mycobacterium tuberculosis

Park, Y., Ahn, Y-M., Jonnala, S., Oh, S., Fisher, J. M., Goodwin, M. B., Loerger, T. R., Via, L. E., Bayliss, T., Green, S. R., Ray, P. C., Wyatt, P. G., Barry, C. E. & Boshoff, H. I., 23 Sep 2019, In : Antimicrobial Agents and Chemotherapy. 63, 10, p. 1-14 14 p., e01006-19.

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Iterative design and optimization of initially inactive Proteolysis Targeting Chimeras (PROTACs) identify VZ185 as a potent, fast and selective von Hippel-Lindau (VHL)-based dual degrader probe of BRD9 and BRD7

Zoppi, V., Hughes, S. J., Maniaci, C., Testa, A., Gmaschitz, T., Wieshofer, C., Koegl, M., Riching, K. M., Daniels, D. L., Spallarossa, A. & Ciulli, A., 24 Jan 2019, In : Journal of Medicinal Chemistry. 62, 2, p. 699-726 28 p.

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33 Citations (Scopus)
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Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis

Baragaña, B., Forte, B., Choi, R., Nakazawa Hewitt, S., Bueren-Calabuig, J. A., Pisco, J. P., Peet, C., Dranow, D. M., Robinson, D. A., Jansen, C., Norcross, N. R., Vinayak, S., Anderson, M., Brooks, C. F., Cooper, C. A., Damerow, S., Delves, M., Dowers, K., Duffy, J., Edwards, T. E. & 57 others, Hallyburton, I., Horst, B. G., Hulverson, M. A., Ferguson, L., Jiménez-Díaz, M. B., Jumani, R. S., Lorimer, D. D., Love, M. S., Maher, S., Matthews, H., McNamara, C. W., Miller, P., O'Neill, S., Ojo, K. K., Osuna-Cabello, M., Pinto, E., Post, J., Riley, J., Rottmann, M., Sanz, L. M., Scullion, P., Sharma, A., Shepherd, S. M., Shishikura, Y., Simeons, F. R. C., Stebbins, E. E., Stojanovski, L., Straschil, U., Tamaki, F. K., Tamjar, J., Torrie, L. S., Vantaux, A., Witkowski, B., Wittlin, S., Yogavel, M., Zuccotto, F., Angulo-Barturen, I., Sinden, R., Baum, J., Gamo, F-J., Mäser, P., Kyle, D. E., Winzeler, E. A., Myler, P. J., Wyatt, P. G., Floyd, D., Matthews, D., Sharma, A., Striepen, B., Huston, C. D., Gray, D. W., Fairlamb, A. H., Pisliakov, A. V., Walpole, C., Read, K. D., Van Voorhis, W. C. & Gilbert, I. H., 2 Apr 2019, In : Proceedings of the National Academy of Sciences. 116, 14, p. 7015-7020 6 p.

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7 Citations (Scopus)
208 Downloads (Pure)