Author results

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
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:Protease, PHOSPHATE ION, ACETATE ION, ...
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2017-10-25
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
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
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
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
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
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
3EL5
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CRYSTAL STRUCTURE OF NELFINAVIR (NFV) COMPLEXED WITH A MULTIDRUG VARIANT (ACT) (V82T/I84V) OF HIV-1 PROTEASE
分子名称:Protease, ACETATE ION, 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
著者King, N., Prabu-Jeyabalan, M., Schiffer, C.
登録日2008-09-20
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
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
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
3EKV
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CRYSTAL STRUCTURE OF THE WILD TYPE HIV-1 PROTEASE WITH THE INHIBITOR, AMPRENAVIR
分子名称:Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER, ACETATE ION
著者Schiffer, C.A., Nalam, M.N.L.
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 (1.75 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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