Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
2I0D
DownloadVisualize
BU of 2i0d by Molmil
Crystal structure of AD-81 complexed with wild type HIV-1 protease
Descriptor: (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, ACETATE ION, PHOSPHATE ION, ...
Authors:Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M.
Deposit date:2006-08-10
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
J.Med.Chem., 49, 2006
2I0A
DownloadVisualize
BU of 2i0a by Molmil
Crystal Structure of KB-19 complexed with wild type HIV-1 protease
Descriptor: (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M.
Deposit date:2006-08-10
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
J.Med.Chem., 49, 2006
3MXD
DownloadVisualize
BU of 3mxd by Molmil
Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease
Descriptor: (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ...
Authors:Nalam, M.N.L, Schiffer, C.A.
Deposit date:2010-05-07
Release date:2010-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
3MXE
DownloadVisualize
BU of 3mxe by Molmil
Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease
Descriptor: (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ...
Authors:Nalam, M.N.L, Schiffer, C.A.
Deposit date:2010-05-07
Release date:2010-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
3O9B
DownloadVisualize
BU of 3o9b by Molmil
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:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O9C
DownloadVisualize
BU of 3o9c by Molmil
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:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O9F
DownloadVisualize
BU of 3o9f by Molmil
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:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O9G
DownloadVisualize
BU of 3o9g by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with af53
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O9H
DownloadVisualize
BU of 3o9h by Molmil
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:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O9E
DownloadVisualize
BU of 3o9e by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with af60
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](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:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O9A
DownloadVisualize
BU of 3o9a by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with kd14
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, PHOSPHATE ION, Pol polyprotein
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O99
DownloadVisualize
BU of 3o99 by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with kd13
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]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:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O9D
DownloadVisualize
BU of 3o9d by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with kd19
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]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:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3O9I
DownloadVisualize
BU of 3o9i by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with af61
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
2PSU
DownloadVisualize
BU of 2psu by Molmil
Crystal Structure of wild type HIV-1 protease in complex with CARB-AD37
Descriptor: ACETATE ION, N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-05-07
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis.
Chem.Biol.Drug Des., 69, 2007
2PSV
DownloadVisualize
BU of 2psv by Molmil
Crystal Structure of wild type HIV-1 protease in complex with CARB-KB45
Descriptor: ACETATE ION, N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-05-07
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis.
Chem.Biol.Drug Des., 69, 2007
2Q54
DownloadVisualize
BU of 2q54 by Molmil
Crystal structure of KB73 bound to HIV-1 protease
Descriptor: ACETATE ION, N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-05-31
Release date:2007-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres.
J.Med.Chem., 50, 2007
2Q5K
DownloadVisualize
BU of 2q5k by Molmil
Crystal structure of lopinavir bound to wild type HIV-1 protease
Descriptor: N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-06-01
Release date:2007-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres.
J.Med.Chem., 50, 2007
2Q55
DownloadVisualize
BU of 2q55 by Molmil
Crystal structure of KK44 bound to HIV-1 protease
Descriptor: (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-05-31
Release date:2007-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres.
J.Med.Chem., 50, 2007
2QI7
DownloadVisualize
BU of 2qi7 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD86 in complex with wild type HIV-1 protease
Descriptor: ACETATE ION, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI6
DownloadVisualize
BU of 2qi6 by Molmil
Crystal structure of protease inhibitor, MIT-2-KB98 in complex with wild type HIV-1 protease
Descriptor: N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI4
DownloadVisualize
BU of 2qi4 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD93 in complex with wild type HIV-1 protease
Descriptor: ACETATE ION, N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE, PHOSPHATE ION, ...
Authors:Nalam, M.N.L, Schiffer, C.A.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI5
DownloadVisualize
BU of 2qi5 by Molmil
Crystal structure of protease inhibitor, MIT-2-KC08 in complex with wild type HIV-1 protease
Descriptor: N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI3
DownloadVisualize
BU of 2qi3 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD94 in complex with wild type HIV-1 protease
Descriptor: (2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE, PHOSPHATE ION, Protease
Authors:Nalam, M.N.L, Schiffer, C.A.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI1
DownloadVisualize
BU of 2qi1 by Molmil
Crystal structure of protease inhibitor, MIT-1-KK81 in complex with wild type HIV-1 protease
Descriptor: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008

 

12>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon