2bqv | pdb_00002bqv

HIV-1 protease in complex with inhibitor AHA455

spinqualitylabelsall models 2bqv, resolution 2.10Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2bqv is a 2 chain structure with sequence from 9hiv1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: A1A Related: 1hvc, 2bb9 Activity: HIV-1 retropepsin, with EC number 3.4.23.16 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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