Brand  (β version)

PDB ID: 2FLE

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Ligands
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AI (2s,2'S)-N,N'-[(2s,3s,4s,5s)-1-cyclohexyl-3,4-dihydroxy-6-phenylhexane-2,5-diyl]bis[3-methyl-2-({[methyl(pyridin-2-ylmethyl)amino]carbonyl}amino)butanamide] PoSSuM
GOL Glycerol PoSSuM
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Structure summary

Code : 2FLE   PDBj   RCSB PDB   PDBe
Header : hydrolase/hydrolase inhibitor
Title : Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant
Release Data : 2007-01-16
Compound :
mol_id molecule chains
1 pol protein A,B
fragment: HIV-1 protease
mutation: V82A
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli  (taxid:562)
expression_system_strain: BL21 Star DE3 pLysS
expression_system_vector_type: plasmid
expression_system_plasmid: pET23a
Authors : Clemente, J.C., Robbins, A., Dunn, B.M., Sussman, F.
Keywords : HIV-1 protease, inhibitor, resistance, induced fit, hydrolase-hydrolase inhibitor COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.900 Å )
Citation :

Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation.

Clemente, J.C.,Robbins, A.,Grana, P.  et al.
(2008)  J.Med.Chem.  51 : 852 - 860

PubMed: 18215016
DOI: 10.1021/jm701170f