Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1BWA
DownloadVisualize
BU of 1bwa by Molmil
HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS
Descriptor: PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
Authors:Ala, P, Chang, C.H.
Deposit date:1998-09-22
Release date:1998-10-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
1BWB
DownloadVisualize
BU of 1bwb by Molmil
HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH SD146 OF DUPONT PHARMACEUTICALS
Descriptor: PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
Authors:Ala, P, Chang, C.H.
Deposit date:1998-09-22
Release date:1998-09-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
1C6X
DownloadVisualize
BU of 1c6x by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C6Y
DownloadVisualize
BU of 1c6y by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C6Z
DownloadVisualize
BU of 1c6z by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C70
DownloadVisualize
BU of 1c70 by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-29
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1CPI
DownloadVisualize
BU of 1cpi by Molmil
REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES. DESIGN OF HYDROLYTICALLY STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE
Descriptor: CYCLIC PEPTIDE INHIBITOR, HIV-1 PROTEASE, SULFATE ION
Authors:Martin, J.L.
Deposit date:1995-10-16
Release date:1996-03-08
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES - DESIGN OF HYDROLYTICALLY-STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE.
J.Am.Chem.Soc., 117, 1995
1D4H
DownloadVisualize
BU of 1d4h by Molmil
HIV-1 Protease in complex with the inhibitor BEA435
Descriptor: 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE, HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1D4I
DownloadVisualize
BU of 1d4i by Molmil
HIV-1 protease in complex with the inhibitor BEA425
Descriptor: 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE], HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1D4J
DownloadVisualize
BU of 1d4j by Molmil
HIV-1 protease in complex with the inhibitor MSL370
Descriptor: 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE, HIV-1 PROTEASE
Authors:Unge, T.
Deposit date:1999-10-04
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
1D4K
DownloadVisualize
BU of 1d4k by Molmil
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
1D4L
DownloadVisualize
BU of 1d4l by Molmil
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
1D4S
DownloadVisualize
BU of 1d4s by Molmil
HIV-1 PROTEASE V82F/I84V DOUBLE MUTANT/TIPRANAVIR COMPLEX
Descriptor: N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, PROTEIN (HIV-1 PROTEASE)
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1999-10-05
Release date:1999-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors.
J.Med.Chem., 39, 1996
1D4Y
DownloadVisualize
BU of 1d4y by Molmil
HIV-1 PROTEASE TRIPLE MUTANT/TIPRANAVIR COMPLEX
Descriptor: N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, PROTEIN (HIV-1 PROTEASE)
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1999-10-06
Release date:1999-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors.
J.Med.Chem., 39, 1996
1DAZ
DownloadVisualize
BU of 1daz by Molmil
Structural and kinetic analysis of drug resistant mutants of HIV-1 protease
Descriptor: HIV-1 PROTEASE (RETROPEPSIN), N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T.
Deposit date:1999-11-01
Release date:2000-05-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
1DIF
DownloadVisualize
BU of 1dif by Molmil
HIV-1 PROTEASE IN COMPLEX WITH A DIFLUOROKETONE CONTAINING INHIBITOR A79285
Descriptor: BETA-MERCAPTOETHANOL, HIV-1 PROTEASE, N-{1-BENZYL-2,2-DIFLUORO-3,3-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:Silva, A.M, Cachau, R.E, Sham, H.L, Erickson, J.W.
Deposit date:1995-10-09
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition and catalytic mechanism of HIV-1 aspartic protease.
J.Mol.Biol., 255, 1996
1DMP
DownloadVisualize
BU of 1dmp by Molmil
STRUCTURE OF HIV-1 PROTEASE COMPLEX
Descriptor: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
Authors:Chang, C.-H.
Deposit date:1996-11-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improved cyclic urea inhibitors of the HIV-1 protease: synthesis, potency, resistance profile, human pharmacokinetics and X-ray crystal structure of DMP 450.
Chem.Biol., 3, 1996
1DW6
DownloadVisualize
BU of 1dw6 by Molmil
Structural and kinetic analysis of drug resistant mutants of HIV-1 protease
Descriptor: HIV-1 PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T.
Deposit date:2000-01-24
Release date:2000-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
1EBK
DownloadVisualize
BU of 1ebk by Molmil
Structural and kinetic analysis of drug resistant mutants of HIV-1 protease
Descriptor: HIV-1 PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T.
Deposit date:2000-01-24
Release date:2000-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
1EBW
DownloadVisualize
BU of 1ebw by Molmil
HIV-1 protease in complex with the inhibitor BEA322
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EBY
DownloadVisualize
BU of 1eby by Molmil
HIV-1 protease in complex with the inhibitor BEA369
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EBZ
DownloadVisualize
BU of 1ebz by Molmil
HIV-1 protease in complex with the inhibitor BEA388
Descriptor: HIV-1 PROTEASE, [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EC0
DownloadVisualize
BU of 1ec0 by Molmil
HIV-1 protease in complex with the inhibitor bea403
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Symmetric fluoro-substituted diol-based HIV protease inhibitors. Ortho-fluorinated and meta-fluorinated P1/P1'-benzyloxy side groups significantly improve the antiviral activity and preserve binding efficacy
Eur.J.Biochem., 271, 2004
1EC1
DownloadVisualize
BU of 1ec1 by Molmil
HIV-1 protease in complex with the inhibitor BEA409
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EC2
DownloadVisualize
BU of 1ec2 by Molmil
HIV-1 protease in complex with the inhibitor BEA428
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
Authors:Unge, T.
Deposit date:2000-01-25
Release date:2002-06-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon