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PDBsum entry 2gx4
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References listed in PDB file
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Key reference
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Title
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Synthesis, Crystal structure, Structure-Activity relationships, And antiviral activity of a potent sars coronavirus 3cl protease inhibitor.
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Authors
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S.Yang,
S.J.Chen,
M.F.Hsu,
J.D.Wu,
C.T.Tseng,
Y.F.Liu,
H.C.Chen,
C.W.Kuo,
C.S.Wu,
L.W.Chang,
W.C.Chen,
S.Y.Liao,
T.Y.Chang,
H.H.Hung,
H.L.Shr,
C.Y.Liu,
Y.A.Huang,
L.Y.Chang,
J.C.Hsu,
C.J.Peters,
A.H.Wang,
M.C.Hsu.
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Ref.
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J Med Chem, 2006,
49,
4971-4980.
[DOI no: ]
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PubMed id
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Abstract
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A potent SARS coronavirus (CoV) 3CL protease inhibitor (TG-0205221, Ki = 53 nM)
has been developed. TG-0205221 showed remarkable activity against SARS CoV and
human coronavirus (HCoV) 229E replications by reducing the viral titer by 4.7
log (at 5 microM) for SARS CoV and 5.2 log (at 1.25 microM) for HCoV 229E. The
crystal structure of TG-0205221 (resolution = 1.93 A) has revealed a unique
binding mode comprising a covalent bond, hydrogen bonds, and numerous
hydrophobic interactions. Structural comparisons between TG-0205221 and a
natural peptide substrate were also discussed. This information may be applied
toward the design of other 3CL protease inhibitors.
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