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PDB: 122 件
1TSU
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CRYSTAL STRUCTURE OF DECAMER NCP1 SUBSTRATE PEPTIDE IN COMPLEX WITH WILD-TYPE D25N HIV-1 PROTEASE VARIANT
分子名称: NC-P1 SUBSTRATE PEPTIDE, Pol polyprotein
著者Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
登録日2004-06-21
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease
J.Virol., 78, 2004
2QI0
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Crystal structure of protease inhibitor, MIT-1-KK80 in complex with wild type HIV-1 protease
分子名称: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE, 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 (2.1 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
3EM6
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Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with inhibitor darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ...
著者Royer, C.J, King, N.M, Prabu-Jeyabalan, M, Ng, C, Nalivaika, E.A, Schiffer, C.A.
登録日2008-09-23
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic and structural studies on atazanavir specific I50L drug-resistant HIV-1 protease mutant.
To be Published
3EM4
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Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
著者Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
登録日2008-09-23
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic and Structural studies on atazanavir-specific I50L drug-resistant HIV-1 protease mutant
To be Published
1MT8
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Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
分子名称: ACETATE ION, Capsid-p2 substrate peptide of HIV-1 Gag polyprotein, PROTEASE RETROPEPSIN
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 (2.15 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
3LZV
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Structure of Nelfinavir-resistant HIV-1 protease (D30N/N88D) in complex with Darunavir.
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 Protease, ...
著者Schiffer, C.A, Kolli, M.
登録日2010-03-01
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways.
J.Virol., 84, 2010
3EKP
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Crystal Structure of the inhibitor Amprenavir (APV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A)Refer: FLAP+ in citation
分子名称: ACETATE ION, PHOSPHATE ION, Protease, ...
著者Prabu-Jayabalan, M, King, N.M, Bandaranayake, R.M.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
1N49
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Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy
分子名称: Protease, RITONAVIR
著者Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
登録日2002-10-30
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant: Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
1AID
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STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN
分子名称: 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE
著者Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M.
登録日1997-04-16
公開日1997-10-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
1YTH
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SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT
分子名称: HIV PROTEASE, PEPTIDE PRODUCT
著者Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M.
登録日1996-08-01
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structures of HIV-1 and SIV protease product complexes.
Biochemistry, 35, 1996
4F74
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Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
分子名称: N terminal product of substrate MA-CA, Protease
著者Schiffer, C.A, Mittal, S, Nalam, M.N.L.
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 (2.2 Å)
主引用文献Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
To be Published
3EKQ
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BU of 3ekq by Molmil
Crystal structure of inhibitor saquinavir (SQV) in complex with multi-drug resistant HIV-1 protease (L63P/V82T/I84V) (referred to as ACT in paper)
分子名称: (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, PHOSPHATE ION, Protease
著者Prabu-Jeyabalan, M, King, N.M, Schiffer, C.A, Nalivaika, E.
登録日2008-09-19
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EM3
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BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
分子名称: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
登録日2008-09-23
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
2NXM
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BU of 2nxm by Molmil
Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLN-THR-PHE*TYR-VAL-ASP-GLY-ALA
分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN
著者Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
登録日2006-11-17
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease
Proteins, 70, 2007
1YTG
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BU of 1ytg by Molmil
SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT
分子名称: HIV PROTEASE, PEPTIDE PRODUCT
著者Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M.
登録日1996-08-01
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structures of HIV-1 and SIV protease product complexes.
Biochemistry, 35, 1996
4HVP
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BU of 4hvp by Molmil
Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution
分子名称: HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
著者Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A.
登録日1989-08-08
公開日1990-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246, 1989
7HVP
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X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR
分子名称: HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365)
著者Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A.
登録日1990-09-13
公開日1993-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
3AID
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A NEW CLASS OF HIV-1 PROTEASE INHIBITOR: THE CRYSTALLOGRAPHIC STRUCTURE, INHIBITION AND CHEMICAL SYNTHESIS OF AN AMINIMIDE PEPTIDE ISOSTERE
分子名称: BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE
著者Rutenber, E.E, Stroud, R.M.
登録日1997-05-15
公開日1997-09-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new class of HIV-1 protease inhibitor: the crystallographic structure, inhibition and chemical synthesis of an aminimide peptide isostere.
Bioorg.Med.Chem., 4, 1996
8HVP
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STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR
分子名称: HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E)
著者Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A.
登録日1990-10-26
公開日1993-10-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor.
Biochemistry, 30, 1991
1MTB
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Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
分子名称: (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, PROTEASE RETROPEPSIN
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2024-05-29
実験手法X-RAY DIFFRACTION (2.5 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
3HVP
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CONSERVED FOLDING IN RETROVIRAL PROTEASES. CRYSTAL STRUCTURE OF A SYNTHETIC HIV-1 PROTEASE
分子名称: UNLIGANDED HIV-1 PROTEASE
著者Wlodawer, A, Jaskolski, M, Miller, M.
登録日1989-08-08
公開日1989-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conserved folding in retroviral proteases: crystal structure of a synthetic HIV-1 protease.
Science, 245, 1989
1KJ4
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SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
分子名称: ACETATE ION, POL polyprotein, gag polyprotein
著者Schiffer, C.A.
登録日2001-12-04
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Structure, 10, 2002

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