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PDBsum entry 3hd3
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References listed in PDB file
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Key reference
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Title
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Novel non-Peptidic vinylsulfones targeting the s2 and s3 subsites of parasite cysteine proteases.
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Authors
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C.Bryant,
I.D.Kerr,
M.Debnath,
K.K.Ang,
J.Ratnam,
R.S.Ferreira,
P.Jaishankar,
D.Zhao,
M.R.Arkin,
J.H.Mckerrow,
L.S.Brinen,
A.R.Renslo.
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Ref.
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Bioorg Med Chem Lett, 2009,
19,
6218-6221.
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PubMed id
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Abstract
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We describe here the identification of non-peptidic vinylsulfones that inhibit
parasite cysteine proteases in vitro and inhibit the growth of Trypanosoma
brucei brucei parasites in culture. A high resolution (1.75 A) co-crystal
structure of 8a bound to cruzain reveals how the non-peptidic P2/P3 moiety in
such analogs bind the S2 and S3 subsites of the protease, effectively
recapitulating important binding interactions present in more traditional
peptide-based protease inhibitors and natural substrates.
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