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Figure 1
The substrate transition state concept (Kiso, 1996BB9; Kiso et al., 1999BB10). (a) Substrate transition state of amide hydrolysis by HIV protease. A water molecule is added to the carbonyl carbon of a substrate activated by catalytic Asp residues of HIV protease. An intermediate takes a tetrahedral coordination for a brief time and then the C—N bond is broken. (b) Interaction between KNI-272 and HIV protease. Hydrogen bonds with catalytic Asp residues resemble those of the substrate transition state, but in this case the C—N bond is never broken.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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