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
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
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
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
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
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
3OXX
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CRYSTAL STRUCTURE OF HIV-1 I50V, A71V PROTEASE IN COMPLEX WITH THE PROTEASE INHIBITOR ATAZANAVIR
分子名称:HIV-1 PROTEASE, GLYCEROL, 1,2-ETHANEDIOL, ...
著者Schiffer, C.A., Bandaranayake, R.M.
登録日2010-09-22
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
3EL1
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CRYSTAL STRUCTURE OF WILD-TYPE HIV PROTEASE IN COMPLEX WITH THE INHIBITOR, ATAZANAVIR
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 (1.7 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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
3OXV
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CRYSTAL STRUCTURE OF HIV-1 I50V, A71 PROTEASE IN COMPLEX WITH THE PROTEASE INHIBITOR AMPRENAVIR.
分子名称:HIV-1 Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER, PHOSPHATE ION, ...
著者Schiffer, C.A., Mittal, S., Bandaranayake, R.M.
登録日2010-09-22
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
3LZU
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CRYSTAL STRUCTURE OF A NELFINAVIR RESISTANT HIV-1 CRF01_AE PROTEASE VARIANT (N88S) IN COMPLEX WITH THE PROTEASE INHIBITOR DARUNAVIR.
分子名称:HIV-1 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Schiffer, C.A., Bandaranayake, R.M.
登録日2010-03-01
公開日2010-08-11
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.76 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
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
3EKY
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CRYSTAL STRUCTURE OF WILD-TYPE HIV PROTEASE IN COMPLEX WITH THE INHIBITOR, ATAZANAVIR
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 (1.8 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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
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
6DH0
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 I84V MUTANT IN COMPLEX WITH 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
著者Lockbaum, G.J., Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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
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
6DH3
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 V82I MUTANT IN COMPLEX WITH 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, SULFATE ION
著者Lockbaum, G.J., Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.908 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DH4
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 V82I MUTANT IN COMPLEX WITH UMASS1
分子名称:Protease, SULFATE ION, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
著者Lockbaum, G.J., Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
3LZS
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CRYSTAL STRUCTURE OF HIV-1 CRF01_AE PROTEASE IN COMPLEX WITH DARUNAVIR
分子名称:HIV-1 protease, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION
著者Schiffer, C.A., Bandaranayake, R.M.
登録日2010-03-01
公開日2010-08-11
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.95 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
3OXW
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CRYSTAL STRUCTURE OF HIV-1 I50V, A71V PROTEASE IN COMPLEX WITH THE PROTEASE INHIBITOR DARUNAVIR
分子名称:HIV-1 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Mittal, S., Bandaranayake, R.M., Schiffer, C.A.
登録日2010-09-22
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
6DH8
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 I50V MUTANT IN COMPLEX WITH UMASS6
分子名称:Protease, SULFATE ION, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate
著者Lockbaum, G.J., Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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