| Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease A Douangamath, D Fearon, P Gehrtz, T Krojer, P Lukacik, CD Owen, ... Nature communications 11 (1), 1-11, 2020 | 509 | 2020 |
| Rapid covalent-probe discovery by electrophile-fragment screening E Resnick, A Bradley, J Gan, A Douangamath, T Krojer, R Sethi, ... Journal of the American Chemical Society 141 (22), 8951-8968, 2019 | 290 | 2019 |
| The crystal structure of E. coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight … A Mac Sweeney, R Lange, RPM Fernandes, H Schulz, GE Dale, ... Journal of molecular biology 345 (1), 115-127, 2005 | 194 | 2005 |
| Structure, Mechanism and Crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase JA Newman, A Douangamath, S Yazdani, Y Yosaatmadja, A Aimon, ... bioRxiv, 2021 | 190 | 2021 |
| Structural evidence for ammonia tunneling across the (βα) 8 barrel of the imidazole glycerol phosphate synthase bienzyme complex A Douangamath, M Walker, S Beismann-Driemeyer, MC Vega-Fernandez, ... Structure 10 (2), 185-193, 2002 | 170 | 2002 |
| Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking M Schuller, GJ Correy, S Gahbauer, D Fearon, T Wu, RE Díaz, ID Young, ... Science advances 7 (16), eabf8711, 2021 | 155 | 2021 |
| Unusual Binding Properties of the SH3 Domain of the Yeast Actin-binding Protein Abp1 STRUCTURAL AND FUNCTIONAL ANALYSIS B Fazi, MJTV Cope, A Douangamath, S Ferracuti, K Schirwitz, A Zucconi, ... Journal of Biological Chemistry 277 (7), 5290-5298, 2002 | 151 | 2002 |
| Topography for independent binding of α-helical and PPII-helical ligands to a peroxisomal SH3 domain A Douangamath, FV Filipp, ATJ Klein, P Barnett, P Zou, T Voorn-Brouwer, ... Molecular cell 10 (5), 1007-1017, 2002 | 118 | 2002 |
| Gentle, fast and effective crystal soaking by acoustic dispensing PM Collins, JT Ng, R Talon, K Nekrosiute, T Krojer, A Douangamath, ... Acta Crystallographica Section D: Structural Biology 73 (3), 246-255, 2017 | 114 | 2017 |
| The XChemExplorer graphical workflow tool for routine or large-scale protein–ligand structure determination T Krojer, R Talon, N Pearce, P Collins, A Douangamath, J Brandao-Neto, ... Acta Crystallographica Section D: Structural Biology 73 (3), 267-278, 2017 | 112 | 2017 |
| Structural effects of monovalent anions on polymorphic lysozyme crystals MC Vaney, I Broutin, P Retailleau, A Douangamath, S Lafont, C Hamiaux, ... Acta Crystallographica Section D: Biological Crystallography 57 (7), 929-940, 2001 | 91 | 2001 |
| The 1.15 Å crystal structure of the Staphylococcus aureus methionyl-aminopeptidase and complexes with triazole based inhibitors C Oefner, A Douangamath, A D'Arcy, S Häfeli, D Mareque, ... Journal of molecular biology 332 (1), 13-21, 2003 | 80 | 2003 |
| An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor D Zaidman, P Gehrtz, M Filep, D Fearon, R Gabizon, A Douangamath, ... Cell chemical biology, 2021 | 69 | 2021 |
| COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine … H Achdout, A Aimon, E Bar-David, H Barr, A Ben-Shmuel, J Bennett, ... BioRxiv, 2020 | 55 | 2020 |
| Exploring protein hotspots by optimized fragment pharmacophores D Bajusz, WS Wade, G Satała, AJ Bojarski, J Ilaš, J Ebner, F Grebien, ... Nature communications 12 (1), 1-10, 2021 | 52 | 2021 |
| Achieving a good crystal system for crystallographic X-ray fragment screening PM Collins, A Douangamath, R Talon, A Dias, J Brandao-Neto, T Krojer, ... Methods in enzymology 610, 251-264, 2018 | 51 | 2018 |
| Crystal Structures of Staphylococcus aureus Methionine Aminopeptidase Complexed with Keto Heterocycle and Aminoketone Inhibitors Reveal the Formation of … A Douangamath, GE Dale, A D'Arcy, M Almstetter, R Eckl, ... Journal of medicinal chemistry 47 (6), 1325-1328, 2004 | 51 | 2004 |
| Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source. A Douangamath, A Powell, D Fearon, PM Collins, R Talon, T Krojer, ... Journal of Visualized Experiments: Jove, 2021 | 47 | 2021 |
| Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19 MA Redhead, CD Owen, L Brewitz, AH Collette, P Lukacik, ... Scientific reports 11 (1), 1-14, 2021 | 37 | 2021 |
| Application of in situ diffraction in high-throughput structure determination platforms P Aller, J Sanchez-Weatherby, J Foadi, G Winter, CMC Lobley, D Axford, ... Structural Proteomics, 233-253, 2015 | 24 | 2015 |
Frank von DelftPrincipal Investigator: Protein Crystallography, SGC, Oxford UniversityDirección de correo verificada de sgc.ox.ac.uk