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
2FNT
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CRYSTAL STRUCTURE OF A DRUG-RESISTANT (V82A) INACTIVE (D25N) HIV-1 PROTEASE COMPLEXED WITH AP2V VARIANT OF HIV-1 NC-P1 SUBSTRATE.
分子名称:protease, NC-p1 substrate PEPTIDE, ACETATE ION, ...
著者Prabu-Jeyabaln, 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 (1.44 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2017-10-11
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
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
3OY4
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CRYSTAL STRUCTURE OF HIV-1 L76V PROTEASE IN COMPLEX WITH THE PROTEASE INHIBITOR DARUNAVIR.
分子名称:HIV-1 PROTEASE, PHOSPHATE ION, ACETATE ION, ...
著者Schiffer, C.A., Nalivaika, E.A., Bandaranayake, R.M.
登録日2010-09-22
公開日2011-02-09
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir.
To be Published
4Q1W
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MUTATIONS OUTSIDE THE ACTIVE SITE OF HIV-1 PROTEASE ALTER ENZYME STRUCTURE AND DYNAMIC ENSEMBLE OF THE ACTIVE SITE TO CONFER DRUG RESISTANCE
分子名称:ASPARTYL PROTEASE, 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Ragland, D.A., Nalam, M.N.L., Cao, H., Nalivaika, E.A., Cai, Y., Kurt-Yilmaz, N., Schiffer, C.A.
登録日2014-04-04
公開日2015-02-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.
J.Am.Chem.Soc., 136, 2014
4Q1X
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MUTATIONS OUTSIDE THE ACTIVE SITE OF HIV-1 PROTEASE ALTER ENZYME STRUCTURE AND DYNAMIC ENSEMBLE OF THE ACTIVE SITE TO CONFER DRUG RESISTANCE
分子名称:ASPARTYL PROTEASE, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, ...
著者Ragland, D.A., Nalam, M.N.L., Cao, H., Nalivaika, E.A., Cai, Y., Kurt-Yilmaz, N., Schiffer, C.A.
登録日2014-04-04
公開日2015-02-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.
J.Am.Chem.Soc., 136, 2014
4Q1Y
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MUTATIONS OUTSIDE THE ACTIVE SITE OF HIV-1 PROTEASE ALTER ENZYME STRUCTURE AND DYNAMIC ENSEMBLE OF THE ACTIVE SITE TO CONFER DRUG RESISTANCE
分子名称:aspartyl protease, PHOSPHATE ION, ACETATE ION, ...
著者Ragland, D.A., Nalam, M.N.L., Cao, H., Nalivaika, E.A., Cai, Y., Kurt-Yilmaz, N., Schiffer, C.A.
登録日2014-04-04
公開日2015-02-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.
J.Am.Chem.Soc., 136, 2014
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
1K6C
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LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称:POL polyprotein, ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
著者Schiffer, C.A.
登録日2001-10-15
公開日2002-02-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
1K6P
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LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称:POL polyprotein, ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
著者Schiffer, C.A.
登録日2001-10-16
公開日2002-02-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
1K6T
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LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称:POL polyprotein, ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE
著者Schiffer, C.A.
登録日2001-10-17
公開日2002-02-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
1K6V
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LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称:POL polyprotein, ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE
著者Schiffer, C.A.
登録日2001-10-17
公開日2002-02-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
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
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