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PDBsum entry 4jec
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Hydrolase/hydrolase inhibitor
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PDB id
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4jec
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References listed in PDB file
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Key reference
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Title
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Joint X-Ray/neutron crystallographic study of HIV-1 protease with clinical inhibitor amprenavir: insights for drug design.
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Authors
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I.T.Weber,
M.J.Waltman,
M.Mustyakimov,
M.P.Blakeley,
D.A.Keen,
A.K.Ghosh,
P.Langan,
A.Y.Kovalevsky.
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Ref.
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J Med Chem, 2013,
56,
5631-5635.
[DOI no: ]
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PubMed id
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Abstract
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HIV-1 protease is an important target for the development of antiviral
inhibitors to treat AIDS. A room-temperature joint X-ray/neutron structure of
the protease in complex with clinical drug amprenavir has been determined at 2.0
Å resolution. The structure provides direct determination of hydrogen atom
positions in the enzyme active site. Analysis of the enzyme-drug interactions
suggests that some hydrogen bonds may be weaker than deduced from the
non-hydrogen interatomic distances. This information may be valuable for the
design of improved protease inhibitors.
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