2bqv: Difference between revisions
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==Overview== | ==Overview== | ||
Novel HIV-1 protease inhibitors encompassing a tertiary alcohol as part of | 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== | ==About this Structure== | ||
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[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Ekegren, J | [[Category: Ekegren, J K.]] | ||
[[Category: Hallberg, A.]] | [[Category: Hallberg, A.]] | ||
[[Category: Safa, M | [[Category: Safa, M Zreik.]] | ||
[[Category: Samuelsson, B.]] | [[Category: Samuelsson, B.]] | ||
[[Category: Schenk, H | [[Category: Schenk, H V.]] | ||
[[Category: Unge, T.]] | [[Category: Unge, T.]] | ||
[[Category: Wallberg, H.]] | [[Category: Wallberg, H.]] | ||
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[[Category: inhibitor]] | [[Category: inhibitor]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:40:42 2008'' | ||
Revision as of 17:40, 21 February 2008
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HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR AHA455
OverviewOverview
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 StructureAbout this Structure
2BQV is a Single protein structure of sequence from Human immunodeficiency virus 1 with as ligand. Active as HIV-1 retropepsin, with EC number 3.4.23.16 Known structural/functional Site: . Full crystallographic information is available from OCA.
ReferenceReference
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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