Author results

1MT7
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VIABILITY OF A DRUG-RESISTANT HIV-1 PROTEASE MUTANT: STRUCTURAL INSIGHTS FOR BETTER ANTIVIRAL THERAPY
Descriptor:PROTEASE RETROPEPSIN, Substrate analogue, ACETATE ION
Authors:Prabu-Jeyabalan, M., Nalivaika, E.A., King, N.M., Schiffer, C.A.
Deposit date:2002-09-20
Release date:2003-01-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor:PROTEASE RETROPEPSIN, Capsid-p2 substrate peptide of HIV-1 Gag polyprotein, ACETATE ION
Authors:Prabu-Jeyabalan, M., Nalivaika, E.A., King, N.M., Schiffer, C.A.
Deposit date:2002-09-20
Release date:2003-01-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor:PROTEASE RETROPEPSIN, p1-p6 Gag substrate decapeptide, PHOSPHATE ION
Authors:Prabu-Jeyabalan, M., Nalivaika, E.A., King, N.M., Schiffer, C.A.
Deposit date:2002-09-20
Release date:2003-01-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:PROTEASE RETROPEPSIN, quinoline-2-carboxylic acid, ASPARAGINE, ...
Authors:Prabu-Jeyabalan, M., Nalivaika, E.A., King, N.M., Schiffer, C.A.
Deposit date:2002-09-20
Release date:2003-01-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor:Protease, RITONAVIR
Authors:Prabu-Jeyabalan, M., Nalivaika, E.A., King, N.M., Schiffer, C.A.
Deposit date:2002-10-30
Release date:2003-01-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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.
Descriptor:Protease, NC-P1 SUBSTRATE PEPTIDE, ACETATE ION, ...
Authors:Prabu-Jeyabalan, M., Nalivaika, E.A., Schiffer, C.A.
Deposit date:2006-01-11
Release date:2006-09-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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.
Descriptor:protease, NC-p1 substrate PEPTIDE, ACETATE ION, ...
Authors:Prabu-Jeyabaln, M., Nalivaika, E.A., Schiffer, C.A.
Deposit date:2006-01-11
Release date:2006-09-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite: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
Descriptor:Pol polyprotein, AP2V NC-P1 SUBSTRATE PEPTIDE, ACETATE ION
Authors:Prabu-Jeyabalan, M., Nalivaika, E.A., King, N.M., Schiffer, C.A.
Deposit date:2004-06-21
Release date:2005-03-29
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Pol polyprotein, NC-P1 SUBSTRATE PEPTIDE
Authors:Prabu-Jeyabalan, M., Nalivaika, E.A., King, N.M., Schiffer, C.A.
Deposit date:2004-06-21
Release date:2005-03-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: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
Authors:Prabu-Jeyabalan, M., King, N.M., Nalivaika, E.A., Heilek-Snyder, G., Cammack, N., Schiffer, C.A.
Deposit date:2005-11-21
Release date:2006-11-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.599 Å)
Cite: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
Descriptor: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, ...
Authors:Royer, C.J., King, N.M., Prabu-Jeyabalan, M., Ng, C., Nalivaika, E.A., Schiffer, C.A.
Deposit date:2008-09-23
Release date:2009-09-01
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor:HIV-1 PROTEASE, PHOSPHATE ION, ACETATE ION, ...
Authors:Schiffer, C.A., Nalivaika, E.A., Bandaranayake, R.M.
Deposit date:2010-09-22
Release date:2011-02-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
Descriptor: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, ...
Authors:Ragland, D.A., Nalam, M.N.L., Cao, H., Nalivaika, E.A., Cai, Y., Kurt-Yilmaz, N., Schiffer, C.A.
Deposit date:2014-04-04
Release date:2015-02-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: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, ...
Authors:Ragland, D.A., Nalam, M.N.L., Cao, H., Nalivaika, E.A., Cai, Y., Kurt-Yilmaz, N., Schiffer, C.A.
Deposit date:2014-04-04
Release date:2015-02-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor:aspartyl protease, PHOSPHATE ION, ACETATE ION, ...
Authors:Ragland, D.A., Nalam, M.N.L., Cao, H., Nalivaika, E.A., Cai, Y., Kurt-Yilmaz, N., Schiffer, C.A.
Deposit date:2014-04-04
Release date:2015-02-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
6OOS
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HIV-1 PROTEASE NL4-3 L90M MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:NL4-3 PROTEASE, SULFATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Henes, M., Kosovrasti, K., Lockbaum, G.J., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A., Whitfield, T.W.
Deposit date:2019-04-23
Release date:2019-08-21
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Biochemistry, 58, 2019
6OOT
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HIV-1 PROTEASE NL4-3 L89V, L90M MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:NL4-3 PROTEASE, SULFATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Henes, M., Kosovrasti, K., Lockbaum, G.J., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A., Whitfield, T.W.
Deposit date:2019-04-23
Release date:2019-08-21
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Biochemistry, 58, 2019
6OOU
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 L89V MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:NL4-3 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
Authors:Henes, M., Kosovrasti, K., Lockbaum, G.J., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A., Whitfield, T.W.
Deposit date:2019-04-23
Release date:2019-08-21
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (2.127 Å)
Cite:Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Biochemistry, 58, 2019
6OPS
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HIV-1 PROTEASE NL4-3 WT IN COMPLEX WITH DARUNAVIR
Descriptor:Protease NL4-3, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Lockbaum, G.J., Henes, M., Kosovrasti, K., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 2019
6OPT
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HIV-1 PROTEASE NL4-3 V82F, I84V MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:Protease NL4-3, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, SULFATE ION
Authors:Lockbaum, G.J., Henes, M., Kosovrasti, K., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 2019
6OPU
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HIV-1 PROTEASE NL4-3 K45I, M46I, V82F, I84V MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:Protease NL4-3, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Lockbaum, G.J., Henes, M., Kosovrasti, K., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 2019
6OPV
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HIV-1 PROTEASE NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:Protease NL4-3, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Lockbaum, G.J., Henes, M., Kosovrasti, K., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 2019
6OPW
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HIV-1 PROTEASE NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, V82F, I84V MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:Protease NL4-3, SULFATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Lockbaum, G.J., Henes, M., Kosovrasti, K., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 2019
6OPX
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HIV-1 PROTEASE NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, L76V, V82F, I84V MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:Protease NL4-3, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Lockbaum, G.J., Henes, M., Kosovrasti, K., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 2019
6OPY
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HIV-1 PROTEASE NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V MUTANT IN COMPLEX WITH DARUNAVIR
Descriptor:Protease NL4-3, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Lockbaum, G.J., Henes, M., Kosovrasti, K., Leidner, F., Nachum, G.S., Nalivaika, E.A., Bolon, D.N.A., KurtYilmaz, N., Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 2019