Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors

Author:

Inniss Nicole L.1,Kozic Ján2,Li Fengling3,Rosas-Lemus Monica1,Minasov George1,Rybáček Jiří2,Zhu Yingjie4,Pohl Radek2,Shuvalova Ludmilla5,Rulíšek Lubomír2,Brunzelle Joseph S.6,Bednárová Lucie2,Štefek Milan2,Kormaník Ján Michael2,Andris Erik2ORCID,Šebestík Jaroslav2,Li Alice Shi Ming78ORCID,Brown Peter J.3ORCID,Schmitz Uli9,Saikatendu Kumar10,Chang Edcon10ORCID,Nencka Radim2,Vedadi Masoud78ORCID,Satchell Karla J. F.1ORCID

Affiliation:

1. Department of Microbiology-Immunology and Center for Structural Biology of Infectious Diseases, Northwestern University, Feinberg School of Medicine, Chicago, Illinois 60611, United States

2. Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague 6, 160 00, Czech Republic

3. Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada

4. WuXi AppTec Co., Ltd, China (Shanghai) Pilot Free Trade Zone, Shanghai, 201308, China

5. Department of Pharmacology, Northwestern University, Feinberg School of Medicine, Chicago, Illinois 60611, United States

6. Northwestern Synchrotron Research Center, Life Sciences Collaborative Access Team, Northwestern University, Argonne, Illinois 60439, United States

7. Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada

8. Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada

9. Structural Chemistry, Gilead Pharmaceuticals, San Mateo, California 94404, United States

10. Takeda Development Center Americas, Inc., San Diego, California 92121, United States

Funder

Takeda Pharmaceuticals International

European Regional Development Fund

National Institute of Allergy and Infectious Diseases

Akademie Ved Ceské Republiky

Ministerstvo Zdravotnictví Ceské Republiky

Publisher

American Chemical Society (ACS)

Subject

Infectious Diseases

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