4OW0

X-Ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases

Summary for 4OW0

• Entry DOI: 10.2210/pdb4ow0/pdb
• Related: 4OVZ
• Descriptor: papain-like protease, ZINC ION, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ... (6 entities in total)
• Functional Keywords: cov, coronavirus, hcov, human coronavirus, sars, severe acute respiratory syndrome, mers, middle east respiratory syndrome, plpro, papain-like protease; inhibitor, complex, dub, deubiquitinating enzyme, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: SARS coronavirus
• Cellular location: Non-structural protein 3: Host membrane ; Multi-pass membrane protein . Non-structural protein 4: Host membrane ; Multi-pass membrane protein . Non-structural protein 6: Host membrane ; Multi-pass membrane protein . Non-structural protein 7: Host cytoplasm, host perinuclear region . Non-structural protein 8: Host cytoplasm, host perinuclear region . Non-structural protein 9: Host cytoplasm, host perinuclear region . Non-structural protein 10: Host cytoplasm, host perinuclear region : P0C6U8
• Total number of polymer chains: 2
• Total formula weight: 72374.84

Authors

Baez-Santos, Y.M.,Mesecar, A. (deposition date: 2014-01-28, release date: 2014-04-23, Last modification date: 2023-11-15)

• Primary citation: Baez-Santos, Y.M.,Barraza, S.J.,Wilson, M.W.,Agius, M.P.,Mielech, A.M.,Davis, N.M.,Baker, S.C.,Larsen, S.D.,Mesecar, A.D.; X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases.; J.Med.Chem., 57:2393-2412, 2014; PubMed: 24568342; DOI: 10.1021/jm401712t

Experimental method

X-RAY DIFFRACTION (2.1 Å)