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Leighton Coates
Leighton Coates
Verified email at ornl.gov
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Cited by
Year
Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography
DW Kneller, G Phillips, HM O’Neill, R Jedrzejczak, L Stols, P Langan, ...
Nature communications 11 (1), 3202, 2020
3662020
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...
Journal of chemical information and modeling 60 (12), 5832-5852, 2020
1562020
Enzymes for heme biosynthesis are found in both the mitochondrion and plastid of the malaria parasite Plasmodium falciparum
S Sato, B Clough, L Coates, RJM Wilson
Protist 155 (1), 117-125, 2004
1532004
The catalytic mechanism of an aspartic proteinase explored with neutron and X-ray diffraction
L Coates, HF Tuan, S Tomanicek, A Kovalevsky, M Mustyakimov, ...
Journal of the American Chemical Society 130 (23), 7235-7237, 2008
1482008
A neutron Laue diffraction study of endothiapepsin: implications for the aspartic proteinase mechanism
L Coates, PT Erskine, SP Wood, DAA Myles, JB Cooper
Biochemistry 40 (44), 13149-13157, 2001
1392001
A structural study of CESA1 catalytic domain of Arabidopsis cellulose synthesis complex: evidence for CESA trimers
VG Vandavasi, DK Putnam, Q Zhang, L Petridis, WT Heller, BT Nixon, ...
Plant physiology 170 (1), 123-135, 2016
1212016
Malleability of the SARS-CoV-2 3CL Mpro active-site cavity facilitates binding of clinical antivirals
DW Kneller, S Galanie, G Phillips, HM O'Neill, L Coates, A Kovalevsky
Structure 28 (12), 1313-1320. e3, 2020
1202020
Unusual zwitterionic catalytic site of SARS–CoV-2 main protease revealed by neutron crystallography
DW Kneller, G Phillips, KL Weiss, S Pant, Q Zhang, HM O'Neill, L Coates, ...
Journal of Biological Chemistry 295 (50), 17365-17373, 2020
1042020
The atomic resolution structure of methanol dehydrogenase from Methylobacterium extorquens
PA Williams, L Coates, F Mohammed, R Gill, PT Erskine, A Coker, ...
Acta Crystallographica Section D: Biological Crystallography 61 (1), 75-79, 2005
1022005
Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate
B Bennett, P Langan, L Coates, M Mustyakimov, B Schoenborn, ...
Proceedings of the National Academy of Sciences 103 (49), 18493-18498, 2006
822006
Genetically encoded fragment-based discovery of glycopeptide ligands for carbohydrate-binding proteins
S Ng, E Lin, PI Kitov, KF Tjhung, OO Gerlits, L Deng, B Kasper, A Sood, ...
Journal of the American Chemical Society 137 (16), 5248-5251, 2015
792015
The macromolecular neutron diffractometer (MaNDi) at the Spallation Neutron Source, Oak Ridge: enhanced optics design, high-resolution neutron detectors and simulated diffraction
L Coates, AD Stoica, C Hoffmann, J Richards, R Cooper
Journal of Applied Crystallography 43 (3), 570-577, 2010
792010
High-throughput virtual screening and validation of a SARS-CoV-2 main protease noncovalent inhibitor
A Clyde, S Galanie, DW Kneller, H Ma, Y Babuji, B Blaiszik, A Brace, ...
Journal of chemical information and modeling 62 (1), 116-128, 2021
782021
Locating active-site hydrogen atoms in D-xylose isomerase: time-of-flight neutron diffraction
AK Katz, X Li, HL Carrell, BL Hanson, P Langan, L Coates, ...
Proceedings of the National Academy of Sciences 103 (22), 8342-8347, 2006
772006
The macromolecular neutron diffractometer MaNDi at the Spallation Neutron Source
L Coates, MJ Cuneo, MJ Frost, J He, KL Weiss, SJ Tomanicek, ...
Journal of Applied Crystallography 48 (4), 1302-1306, 2015
752015
High-resolution structure of myo-inositol monophosphatase, the putative target of lithium therapy
R Gill, F Mohammed, R Badyal, L Coates, P Erskine, D Thompson, ...
Acta Crystallographica Section D: Biological Crystallography 61 (5), 545-555, 2005
732005
Covalent narlaprevir-and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
DW Kneller, H Li, G Phillips, KL Weiss, Q Zhang, MA Arnould, CB Jonsson, ...
Nature communications 13 (1), 2268, 2022
722022
A structural study of norovirus 3C protease specificity: binding of a designed active site-directed peptide inhibitor
RJ Hussey, L Coates, RS Gill, PT Erskine, SF Coker, E Mitchell, ...
Biochemistry 50 (2), 240-249, 2011
692011
Neutron and atomic resolution X-ray structures of a lytic polysaccharide monooxygenase reveal copper-mediated dioxygen binding and evidence for N-terminal deprotonation
JP Bacik, S Mekasha, Z Forsberg, AY Kovalevsky, G Vaaje-Kolstad, ...
Biochemistry 56 (20), 2529-2532, 2017
672017
New sources and instrumentation for neutrons in biology
SCM Teixeira, G Zaccai, J Ankner, MC Bellissent-Funel, R Bewley, ...
Chemical physics 345 (2-3), 133-151, 2008
632008
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