Author results

1MT7
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VIABILITY OF A DRUG-RESISTANT HIV-1 PROTEASE MUTANT: STRUCTURAL INSIGHTS FOR BETTER ANTIVIRAL THERAPY
分子名称:PROTEASE RETROPEPSIN, Substrate analogue, ACETATE ION
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2017-10-11
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
1MT8
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VIABILITY OF A DRUG-RESISTANT HIV-1 PROTEASE MUTANT: STRUCTURAL INSIGHTS FOR BETTER ANTIVIRAL THERAPY
分子名称:PROTEASE RETROPEPSIN, Capsid-p2 substrate peptide of HIV-1 Gag polyprotein, ACETATE ION
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2017-10-11
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
1MT9
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VIABILITY OF A DRUG-RESISTANT HIV-1 PROTEASE MUTANT: STRUCTURAL INSIGHTS FOR BETTER ANTIVIRAL THERAPY
分子名称:PROTEASE RETROPEPSIN, p1-p6 Gag substrate decapeptide, PHOSPHATE ION
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2017-10-11
実験手法X-RAY DIFFRACTION (2 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
1MTB
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VIABILITY OF A DRUG-RESISTANT HIV-1 PROTEASE MUTANT: STRUCTURAL INSIGHTS FOR BETTER ANTIVIRAL THERAPY
分子名称:PROTEASE RETROPEPSIN, quinoline-2-carboxylic acid, ASPARAGINE, ...
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2017-10-11
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
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2017-10-11
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
2FNS
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CRYSTAL STRUCTURE OF WILD-TYPE INACTIVE (D25N) HIV-1 PROTEASE COMPLEXED WITH WILD-TYPE HIV-1 NC-P1 SUBSTRATE.
分子名称:Protease, NC-P1 SUBSTRATE PEPTIDE, ACETATE 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2017-10-18
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
1TSQ
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CRYSTAL STRUCTURE OF AP2V SUBSTRATE VARIANT OF NC-P1 DECAMER PEPTIDE IN COMPLEX WITH V82A/D25N HIV-1 PROTEASE MUTANT
分子名称:Pol polyprotein, AP2V NC-P1 SUBSTRATE PEPTIDE, ACETATE ION
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2019-07-24
実験手法X-RAY DIFFRACTION (2 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
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:Pol polyprotein, NC-P1 SUBSTRATE PEPTIDE
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2017-10-11
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
2F3K
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SUBSTRATE ENVELOPE AND DRUG RESISTANCE: CRYSTAL STRUCTURE OF R01 IN COMPLEX WITH WILD-TYPE HIV-1 PROTEASE
分子名称:Protease, PHOSPHATE ION, (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
著者Prabu-Jeyabalan, M., King, N.M., Nalivaika, E.A., Heilek-Snyder, G., Cammack, N., Schiffer, C.A.
登録日2005-11-21
公開日2006-11-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease.
Antimicrob.Agents Chemother., 50, 2006
3EM3
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CRYSTAL STRUCTURE OF AMPRENAVIR (APV) IN COMPLEX WITH A DRUG RESISTANT HIV-1 PROTEASE VARIANT (I50L/A71V).
分子名称:Protease, ACETATE ION, {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2018-01-24
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
3EM4
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CRYSTAL STRUCTURE OF ATAZANAVIR (ATV) IN COMPLEX WITH I50L/A71V DRUG-RESISTANT HIV-1 PROTEASE
分子名称:Protease, (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2018-01-24
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
2NXD
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STRUCTURE OF HIV-1 PROTEASE D25N COMPLEXED WITH RT-RH ANALOGUE PEPTIDE GLY-ALA-ASP-ILE-PHE*TYR-LEU-ASP-GLY-ALA
分子名称:PROTEASE RETROPEPSIN, Analogue of RT-RH pol protease substrate peptide
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2017-10-18
実験手法X-RAY DIFFRACTION (2 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
2NXL
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STRUCTURE OF HIV-1 PROTEASE D25N COMPLEXED WITH THE RT-RH ANALOGUE PEPTIDE GLY-ALA-GLU-VAL-PHE*TYR-VAL-ASP-GLY-ALA
分子名称:PROTEASE RETROPEPSIN, Analogue of RT-RH pol protease substrate peptide, PHOSPHATE ION
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2017-10-18
実験手法X-RAY DIFFRACTION (2 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
2NXM
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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:PROTEASE RETROPEPSIN, Analogue of RT-RH pol protease substrate peptide
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2017-10-18
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
3EKQ
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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:Protease, (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
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2017-10-25
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
3EKT
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CRYSTAL STRUCTURE OF THE INHIBITOR DARUNAVIR (DRV) IN COMPLEX WITH A MULTI-DRUG RESISTANT HIV-1 PROTEASE VARIANT (L10F/G48V/I54V/V64I/V82A) (REFER: FLAP+ IN CITATION.)
分子名称:Protease, ACETATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ...
著者Prabu-Jeyabalan, M., King, N.M., Bandaranayake, R.M.
登録日2008-09-19
公開日2009-09-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EKW
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CRYSTAL STRUCTURE OF THE INHIBITOR ATAZANAVIR (ATV) IN COMPLEX WITH A MULTI-DRUG RESISTANCE HIV-1 PROTEASE VARIANT (L10I/G48V/I54V/V64I/V82A) REFER: FLAP+ IN CITATION.
分子名称:Protease, PHOSPHATE ION, (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
著者Prabu-Jeyabalan, M., King, N.M., Bandaranayake, R.M.
登録日2008-09-19
公開日2009-09-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EL0
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CRYSTAL STRUCTURE OF THE INHIBITOR NELFINAVIR (NFV) IN COMPLEX WITH A MULTI-DRUG RESISTANT HIV-1 PROTEASE VARIANT (L10I/G48V/I54V/V64I/V82A) (REFER: FLAP+ IN CITATION)
分子名称:Protease, 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PHOSPHATE ION, ...
著者Prabu-Jeyabalan, M., King, N.M.
登録日2008-09-19
公開日2009-09-01
最終更新日2012-10-17
実験手法X-RAY DIFFRACTION (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
3EL4
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CRYSTAL STRUCTURE OF INHIBITOR SAQUINAVIR (SQV) COMPLEXED WITH THE MULTIDRUG HIV-1 PROTEASE VARIANT L63P/V82T/I84V
分子名称:Protease, (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, ACETATE ION
著者Prabu-Jeyabalan, M., King, N., Schiffer, C.
登録日2008-09-19
公開日2009-09-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (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
3EL9
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CRYSTAL STRUCTURE OF ATAZANAVIR (ATV) IN COMPLEX WITH A MULTIDRUG HIV-1 PROTEASE (V82T/I84V)
分子名称:Protease, (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, ACETATE ION, ...
著者Prabu-Jeyabalan, M., King, N., Schiffer, C.
登録日2008-09-21
公開日2009-09-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EM6
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CRYSTAL STRUCTURE OF I50L/A71V MUTANT OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR DARUNAVIR
分子名称:Protease, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 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2017-10-25
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
1T3R
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HIV PROTEASE WILD-TYPE IN COMPLEX WITH TMC114 INHIBITOR
分子名称:protease RETROPEPSIN, PHOSPHATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
著者King, N.M., Prabu-Jeyabalan, M., Nalivaika, E.A., Wigernick, P.B., de Bethune, M.P., Schiffer, C.A.
登録日2004-04-27
公開日2005-05-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
1T7I
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THE STRUCTURAL AND THERMODYNAMIC BASIS FOR THE BINDING OF TMC114, A NEXT-GENERATION HIV-1 PROTEASE INHIBITOR.
分子名称:Pol Polyprotein, PHOSPHATE ION, ACETATE ION, ...
著者King, N.M., Prabu-Jeyabalan, M., Nalivaika, E.A., Wigerinck, P.B.T.P., De Bethune, M.-P., Schiffer, C.A.
登録日2004-05-10
公開日2005-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
1T7J
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CRYSTAL STRUCTURE OF INHIBITOR AMPRENAVIR IN COMPLEX WITH A MULTI-DRUG RESISTANT VARIANT OF HIV-1 PROTEASE (L63P/V82T/I84V)
分子名称:Pol Polyprotein, ACETATE ION, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者King, N.M., Prabu-Jeyabalan, M., Nalivaika, E.A., Wigerinck, P.B.T.P., De Bethune, M.-P., Schiffer, C.A.
登録日2004-05-10
公開日2005-05-10
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
2FGU
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X-RAY CRYSTAL STRUCTURE OF HIV-1 PROTEASE T80S VARIANT IN COMPLEX WITH THE INHIBITOR SAQUINAVIR USED TO EXPLORE THE ROLE OF INVARIANT THR80 IN HIV-1 PROTEASE STRUCTURE, FUNCTION, AND VIRAL INFECTIVITY.
分子名称:Protease, PHOSPHATE ION, quinoline-2-carboxylic acid, ...
著者Foulkes, J.E., Prabu-Jeyabalan, M., Cooper, D., Schiffer, C.A.
登録日2005-12-22
公開日2006-11-07
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity.
J.Virol., 80, 2006
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