HIV Protease

Anisotropic Dynamics of the JE-2147-HIV Protease complex: Drug Resistance and Thermodynamic Binding Mode Examined in a 1.09Å Structure.
Reiling, K., Endres, N., Dauber, D., Craik, C., Stroud, R. (2002)
Biochemistry 41 No 14 4582 –4594.
PDB accession No. 1KZK
Review abstract
Download PDF

Domain flexibility in retroviral proteases: structural implications for drug resistant mutations.
Rose, RB; Craik, CS; and Stroud, RM. (1998) 
Biochemistry 37, 2607-2621.  
PDB Accession No. 1AZ5 
Review abstract
Download PDF
View PDB structure

The discovery, characterization and crystallographically determined binding mode of an FMOC-containing inhibitor of HIV-1 protease.
Rutenber, EE; De Voss, JJ; Hoffman, L; Stroud, RM; Lee, KH; Alvarez, J; McPhee, F; Craik, C; and Ortiz de Montellano, PR. (1997) 
Bioorganic and Medicinal Chemistry 5, 1311-1320. 
Review abstract 
Download PDF

A new class of HIV-1 protease inhibitor: the crystallographic structure, inhibition and chemical synthesis of an aminimide peptide isostere.
Rutenber, EE; McPhee, F; Kaplan, AP; Gallion, SL; Hogan, JC Jr; Craik, CS; and Stroud, RM. (1996) 
Bioorganic and Medicinal Chemistry 4, 1545-1558.  
PDB Accession No. 3AID 
View PDB structure
Download PDF

Three-dimensional structures of HIV-I and SIV protease product complexes.
Rose, RB; Craik, CS; Douglas, NL; and Stroud, RM. (1996)
Biochemistry 35, 12933-12944. 
PDB Accession Nos.: 1YTG (HIV-1 protease complexed with P-I-V-NH2);  1YTH
(HIV-1 protease complexed with Ac-S-L-N-F); 1YTI (SIV protease complexed with F-L-E-K); 1YTJ (SIV protease complexed with F(NO2)-E-A-Nle-S). 
View PDB structure  1YTG, 1YTH, 1YTI, 1YTJ 
Download PDF

Structure of the protease from simian immunodeficiency virus: Complex with an irreversible non-peptide inhibitor.
Rose, RB; Rose, JR; Salto, R; Craik, CS; and Stroud, RM. (1993)
Biochemistry 32, 12498-12507.  
PDB Accession No. 2SAM 
View PDB structure
Download PDF

Structure of a non-peptide inhibitor complexed with HIV-1 protease: Developing a cycle of structure-based drug design.
Rutenber, E; Fauman, EB; Keenan, RJ; Fong, S; Furth, PS; Ortiz de Montellano, PR; Meng, E; Kuntz, ID; DeCamp, DL; Salto, R; Rose, JR; Craik, CS; and Stroud, RM. (1993)  
Journal of Biological Chemistry 268, 15343-15346. 
PDB Accession Nos. 1AID & 2AID  
View PDB structure 1AID, 2AID 
Download PDF