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1IDB	Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere Descriptor: (2R,4S)-N-tert-butyl-1-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide, Protease Authors: Tong, L, Anderson, P.C. Deposit date: 1994-10-19 Release date: 1995-01-26 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere. Structure, 3, 1995
1HOS	INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS-1 PROTEASE BY A C2-SYMMETRIC PHOSPHINATE SYNTHESIS AND CRYSTALLOGRAPHIC ANALYSIS Descriptor: (2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID, HIV-1 PROTEASE Authors: Abdel-Meguid, S, Zhao, B. Deposit date: 1993-04-06 Release date: 1993-10-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Inhibition of human immunodeficiency virus-1 protease by a C2-symmetric phosphinate. Synthesis and crystallographic analysis. Biochemistry, 32, 1993
1HTG	X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE Descriptor: 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE, HIV-1 PROTEASE Authors: Jhoti, H, Wonacott, A, Murray-Rust, P. Deposit date: 1994-04-29 Release date: 1994-07-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease. Biochemistry, 33, 1994
1HPV	CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH VX-478, A POTENT AND ORALLY BIOAVAILABLE INHIBITOR OF THE ENZYME Descriptor: HIV-1 PROTEASE, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER Authors: Kim, E.E. Deposit date: 1994-11-18 Release date: 1995-03-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of HIV-1 Protease in Complex with Vx-478, a Potent and Orally Bioavailable Inhibitor of the Enzyme J.Am.Chem.Soc., 117, 1995
1HIV	CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING Descriptor: 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium, HIV-1 PROTEASE Authors: Thanki, N, Wlodawer, A. Deposit date: 1992-02-12 Release date: 1993-10-31 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling. Protein Sci., 1, 1992
1HVR	RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS Descriptor: HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE Authors: Chang, C.-H. Deposit date: 1994-02-14 Release date: 1995-01-26 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors. Science, 263, 1994
1IDA	CRYSTAL STRUCTURES OF HIV-2 PROTEASE IN COMPLEX WITH INHIBITORS CONTAINING THE HYDROXYETHYLAMINE DIPEPTIDE ISOSTERE Descriptor: N-[(1R)-1-{[(1S,2S)-1-benzyl-3-{(2R,4S)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide, Protease Authors: Tong, L, Anderson, P.C. Deposit date: 1994-10-19 Release date: 1995-01-26 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere. Structure, 3, 1995
1HSH	CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES Descriptor: HIV-II PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE Authors: Chen, Z. Deposit date: 1995-03-31 Release date: 1996-04-03 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases. J.Biol.Chem., 269, 1994
1HVK	INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE Descriptor: HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE Authors: Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. Deposit date: 1994-01-26 Release date: 1994-04-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
1HVJ	INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE Descriptor: HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE Authors: Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. Deposit date: 1994-01-26 Release date: 1994-04-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
1HVI	INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE Descriptor: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE Authors: Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. Deposit date: 1994-01-26 Release date: 1994-04-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
1HVL	INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE Descriptor: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE Authors: Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. Deposit date: 1994-01-26 Release date: 1994-04-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
1HPX	HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 Descriptor: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE Authors: Bhat, T.N, Erickson, J.W. Deposit date: 1995-05-18 Release date: 1996-03-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine. Structure, 3, 1995
1HVS	STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING Descriptor: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE Authors: Baldwin, E.T, Bhat, T.N, Liu, B, Pattabiraman, N, Erickson, J.W. Deposit date: 1994-11-17 Release date: 1995-02-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase. Nat.Struct.Biol., 2, 1995
2MIP	CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) TYPE 2 PROTEASE IN COMPLEX WITH A REDUCED AMIDE INHIBITOR AND COMPARISON WITH HIV-1 PROTEASE STRUCTURES Descriptor: HIV-2 PROTEASE, INHIBITOR BI-LA-398 Authors: Tong, L, Pav, S, Pargellis, C, Do, F, Lamarre, D, Anderson, P.C. Deposit date: 1993-06-03 Release date: 1993-10-31 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of human immunodeficiency virus (HIV) type 2 protease in complex with a reduced amide inhibitor and comparison with HIV-1 protease structures. Proc.Natl.Acad.Sci.USA, 90, 1993
3NWQ	X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease Authors: Torbeev, V.Y, Kent, S.B.H. Deposit date: 2010-07-10 Release date: 2011-11-02 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3NR6	Crystal structure of xenotropic murine leukemia virus-related virus (XMRV) protease Descriptor: PHOSPHATE ION, POTASSIUM ION, Protease p14 Authors: Lubkowski, J, Li, M, Gustchina, A, Zhou, D, Dauter, Z, Wlodawer, A. Deposit date: 2010-06-30 Release date: 2011-02-02 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Crystal structure of XMRV protease differs from the structures of other retropepsins. Nat.Struct.Mol.Biol., 18, 2011
3O9B	Crystal Structure of wild-type HIV-1 Protease in Complex with kd25 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, ACETATE ION, GLYCEROL, ... Authors: Schiffer, C.A, Nalam, M.N.L. Deposit date: 2010-08-04 Release date: 2011-08-10 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
3NU6	Crystal Structure of HIV-1 Protease Mutant I54M with Antiviral Drug Amprenavir Descriptor: ACETATE ION, CHLORIDE ION, Protease, ... Authors: Shen, C.H, Weber, I.T. Deposit date: 2010-07-06 Release date: 2010-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
3O9C	Crystal Structure of wild-type HIV-1 Protease in complex with kd20 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Pol polyprotein Authors: Schiffer, C.A, Nalam, M.N.L. Deposit date: 2010-08-04 Release date: 2011-08-10 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
3NU5	Crystal Structure of HIV-1 Protease Mutant I50V with Antiviral Drug Amprenavir Descriptor: ACETATE ION, CHLORIDE ION, SODIUM ION, ... Authors: Wang, Y.-F, Shen, C.H, Weber, I.T. Deposit date: 2010-07-06 Release date: 2010-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
3O9F	Crystal Structure of wild-type HIV-1 Protease in complex with kd27 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... Authors: Schiffer, C.A, Nalam, M.N.L. Deposit date: 2010-08-04 Release date: 2011-08-10 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
3NUJ	Crystal Structure of HIV-1 Protease Mutant I54V with Antiviral Drug Amprenavir Descriptor: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER Authors: Shen, C.H, Weber, I.T. Deposit date: 2010-07-07 Release date: 2010-08-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
3NU4	Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir Descriptor: CHLORIDE ION, SODIUM ION, protease, ... Authors: Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. Deposit date: 2010-07-06 Release date: 2010-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
3O9H	Crystal Structure of wild-type HIV-1 Protease in complex with kd26 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, ACETATE ION, PHOSPHATE ION, ... Authors: Schiffer, C.A, Nalam, M.N.L. Deposit date: 2010-08-04 Release date: 2011-08-10 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013

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