2bqv
From Proteopedia
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HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR AHA455
Overview
Novel HIV-1 protease inhibitors encompassing a tertiary alcohol as part of, the transition-state mimicking unit have been synthesized. Variation of, the P1'-P3' residues and alteration of the tertiary alcohol absolute, stereochemistry afforded 10 inhibitors. High potencies for the compounds, with (S)-configuration at the carbon carrying the tertiary hydroxyl group, were achieved with Ki values down to 2.4 nM. X-ray crystallographic data, for a representative compound in complex with HIV-1 protease are, presented.
About this Structure
2BQV is a [Single protein] structure of sequence from [Human immunodeficiency virus 1] with A1A as [ligand]. Active as [[1]], with EC number [3.4.23.16]. Full crystallographic information is available from [OCA].
Reference
A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A, J Med Chem. 2005 Dec 15;48(25):8098-102. PMID:16335934
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