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Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking.
Schuller, Marion; Correy, Galen J; Gahbauer, Stefan; Fearon, Daren; Wu, Taiasean; Díaz, Roberto Efraín; Young, Iris D; Martins, Luan Carvalho; Smith, Dominique H; Schulze-Gahmen, Ursula; Owens, Tristan W; Deshpande, Ishan; Merz, Gregory E; Thwin, Aye C; Biel, Justin T; Peters, Jessica K; Moritz, Michelle; Herrera, Nadia; Kratochvil, Huong T; Aimon, Anthony; Bennett, James M; Neto, Jose Brandao; Cohen, Aina E; Dias, Alexandre; Douangamath, Alice; Dunnett, Louise; Fedorov, Oleg; Ferla, Matteo P; Fuchs, Martin; Gorrie-Stone, Tyler J; Holton, James M; Johnson, Michael G; Krojer, Tobias; Meigs, George; Powell, Ailsa J; Rangel, Victor L; Russi, Silvia; Skyner, Rachael E; Smith, Clyde A; Soares, Alexei S; Wierman, Jennifer L; Zhu, Kang; Jura, Natalia; Ashworth, Alan; Irwin, John; Thompson, Michael C; Gestwicki, Jason E; von Delft, Frank; Shoichet, Brian K; Fraser, James S.
Affiliation
  • Schuller M; Sir William Dunn School of Pathology, University of Oxford, South Parks Road, Oxford OX1 3RE, UK.
  • Correy GJ; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, CA, USA.
  • Gahbauer S; Department of Pharmaceutical Chemistry, University of California San Francisco San Francisco, CA, USA.
  • Fearon D; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Wu T; Institute for Neurodegenerative Disease, University of California San Francisco, CA, USA.
  • Díaz RE; Chemistry and Chemical Biology Graduate Program, University of California San Francisco, CA, USA.
  • Young ID; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, CA, USA.
  • Martins LC; Tetrad Graduate Program, University of California San Francisco, CA, USA.
  • Smith DH; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, CA, USA.
  • Schulze-Gahmen U; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Owens TW; Biochemistry Department, Institute for Biological Sciences, Federal University of Minas Gerais. Belo Horizonte, Brazil.
  • Deshpande I; Helen Diller Family Comprehensive Cancer, University of California San Francisco, CA, USA.
  • Merz GE; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Thwin AC; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Biel JT; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Peters JK; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Moritz M; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Herrera N; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Kratochvil HT; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Aimon A; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Bennett JM; Quantitative Biosciences Institute (QBI) Coronavirus Research Group Structural Biology Consortium, University of California San Francisco, CA, USA.
  • Cohen AE; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Dias A; Centre for Medicines Discovery, University of Oxford, South Parks Road, Headington, OX3 7DQ, UK.
  • Douangamath A; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Dunnett L; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Center, Menlo Park, CA 94025, USA.
  • Fedorov O; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Ferla MP; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Fuchs M; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Gorrie-Stone TJ; Centre for Medicines Discovery, University of Oxford, South Parks Road, Headington, OX3 7DQ, UK.
  • Holton JM; Wellcome Centre for Human Genetics, University of Oxford, Old Road Campus, Oxford OX3 7BN, UK.
  • Johnson MG; National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY, USA.
  • Krojer T; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Meigs G; Department of Biochemistry and Biophysics, University of California San Francisco, CA, USA.
  • Powell AJ; Department of Molecular Biophysics and Integrated Bioimaging, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.
  • Rangel VL; ChemPartner Corporation, South San Francisco, CA, USA.
  • Russi S; Centre for Medicines Discovery, University of Oxford, South Parks Road, Headington, OX3 7DQ, UK.
  • Skyner RE; Structural Genomics Consortium, University of Oxford, Old Road Campus, Roosevelt Drive, Headington OX3 7DQ, UK.
  • Smith CA; Department of Biochemistry and Biophysics, University of California San Francisco, CA, USA.
  • Soares AS; Department of Molecular Biophysics and Integrated Bioimaging, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.
  • Wierman JL; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Jura N; Centre for Medicines Discovery, University of Oxford, South Parks Road, Headington, OX3 7DQ, UK.
  • Ashworth A; Structural Genomics Consortium, University of Oxford, Old Road Campus, Roosevelt Drive, Headington OX3 7DQ, UK.
  • Irwin J; School of Pharmaceutical Sciences of Ribeirao Preto, University of Sao Paulo, São Paulo, Brazil.
  • Thompson MC; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Center, Menlo Park, CA 94025, USA.
  • Gestwicki JE; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • von Delft F; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Center, Menlo Park, CA 94025, USA.
  • Shoichet BK; Photon Sciences, Brookhaven National Laboratory, Upton, NY, USA.
  • Fraser JS; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Center, Menlo Park, CA 94025, USA.
bioRxiv ; 2020 Nov 24.
Article in En | MEDLINE | ID: mdl-33269349

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Diagnostic_studies / Screening_studies Language: En Journal: BioRxiv Year: 2020 Type: Article Affiliation country: United kingdom

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Diagnostic_studies / Screening_studies Language: En Journal: BioRxiv Year: 2020 Type: Article Affiliation country: United kingdom