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PDB: 122 件
2QI4
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BU of 2qi4 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD93 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE, PHOSPHATE ION, ...
著者Nalam, M.N.L, Schiffer, C.A.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
3HDK
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BU of 3hdk by Molmil
Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-07
公開日2010-04-28
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4EP3
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BU of 4ep3 by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate CA-p2
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, protease, ...
著者Schiffer, C.A, Mittal, S.
登録日2012-04-16
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4QJ9
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BU of 4qj9 by Molmil
Crystal structure of inactive HIV-1 protease in complex with p1-p6 substrate variant (R452S)
分子名称: GLYCEROL, PHOSPHATE ION, Protease, ...
著者Lin, K.H, Schiffer, C.A.
登録日2014-06-03
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Proc.Natl.Acad.Sci.USA, 111, 2014
3GI6
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BU of 3gi6 by Molmil
Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease
分子名称: (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease
著者Nalam, M.N.L, Schiffer, C.A.
登録日2009-03-05
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
1Z1R
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BU of 1z1r by Molmil
HIV-1 protease complexed with Macrocyclic peptidomimetic inhibitor 2
分子名称: 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE, Pol polyprotein, SULFATE ION
著者Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
登録日2005-03-06
公開日2005-03-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease
Biochemistry, 38, 1999
3MXE
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BU of 3mxe by Molmil
Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease
分子名称: (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, ...
著者Nalam, M.N.L, Schiffer, C.A.
登録日2010-05-07
公開日2010-11-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
3GI4
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BU of 3gi4 by Molmil
Crystal structure of protease inhibitor, KB60 in complex with wild type HIV-1 protease
分子名称: 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide, ACETATE ION, PHOSPHATE ION, ...
著者Nalam, M.N.L, Schiffer, C.A.
登録日2009-03-05
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
1B6K
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BU of 1b6k by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5
分子名称: N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE, RETROPEPSIN, SULFATE ION
著者Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
登録日1999-01-17
公開日2000-01-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
4OBH
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BU of 4obh by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
1B6M
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BU of 1b6m by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6
分子名称: RETROPEPSIN, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
著者Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
登録日1999-01-17
公開日2000-01-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6J
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BU of 1b6j by Molmil
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1
分子名称: CYCLIC PEPTIDE INHIBITOR, RETROPEPSIN, SULFATE ION
著者Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
登録日1999-01-17
公開日2000-01-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
4F76
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BU of 4f76 by Molmil
Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate
分子名称: C terminal product of substrate p1-p6, N terminal product of substrate p1-p6, Protease
著者Schiffer, C.A, Nalam, M.N.L, Mittal, S.
登録日2012-05-15
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate
To be Published
1Z1H
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BU of 1z1h by Molmil
HIV-1 protease complexed with macrocyclic peptidomimetic inhibitor 3
分子名称: N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE, Pol polyprotein, SULFATE ION
著者Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P.
登録日2005-03-04
公開日2005-03-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease
Biochemistry, 38, 1999
2QI6
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BU of 2qi6 by Molmil
Crystal structure of protease inhibitor, MIT-2-KB98 in complex with wild type HIV-1 protease
分子名称: N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI7
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BU of 2qi7 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD86 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
1D4K
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BU of 1d4k by Molmil
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
分子名称: 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
著者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.
登録日1999-10-04
公開日2000-10-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
2QI5
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BU of 2qi5 by Molmil
Crystal structure of protease inhibitor, MIT-2-KC08 in complex with wild type HIV-1 protease
分子名称: N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2FNS
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BU of 2fns by Molmil
Crystal structure of wild-type inactive (D25N) HIV-1 protease complexed with wild-type HIV-1 NC-p1 substrate.
分子名称: ACETATE ION, NC-P1 SUBSTRATE PEPTIDE, PHOSPHATE ION, ...
著者Prabu-Jeyabalan, M, Nalivaika, E.A, Schiffer, C.A.
登録日2006-01-11
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
J.Virol., 80, 2006
2QHZ
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BU of 2qhz by Molmil
Crystal structure of protease inhibitor, MIT-1-AC87 in complex with wild type HIV-1 protease
分子名称: (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QHY
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BU of 2qhy by Molmil
Crystal Structure of protease inhibitor, MIT-1-AC86 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
1MT7
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BU of 1mt7 by Molmil
Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
分子名称: ACETATE ION, PROTEASE RETROPEPSIN, Substrate analogue
著者Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
登録日2002-09-20
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
4EP2
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BU of 4ep2 by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate RT-RH
分子名称: GLYCEROL, PHOSPHATE ION, protease, ...
著者Schiffer, C.A, Mittal, S.
登録日2012-04-16
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
3NWX
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BU of 3nwx by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
分子名称: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2010-07-12
公開日2011-11-02
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3R4B
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BU of 3r4b by Molmil
Crystal Structure of Wild-type HIV-1 Protease in Complex With TMC310911
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate, HIV-1 protease, PHOSPHATE ION
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-03-17
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors.
Antimicrob.Agents Chemother., 55, 2011

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