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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
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
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
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
3EKX
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CRYSTAL STRUCTURE OF THE WILD-TYPE HIV-1 PROTEASE WITH THE INHIBITOR, NELFINAVIR
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, 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 (1.97 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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
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
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
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
3IR2
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CRYSTAL STRUCTURE OF THE APOBEC3G CATALYTIC DOMAIN
分子名称:DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION, CHLORIDE ION, ...
著者Shandilya, S.M.D., Schiffer, C.A.
登録日2009-08-21
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the APOBEC3G Catalytic Domain Reveals Potential Oligomerization Interfaces.
Structure, 18, 2010
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
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
3LZV
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STRUCTURE OF NELFINAVIR-RESISTANT HIV-1 PROTEASE (D30N/N88D) 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, PHOSPHATE ION, ...
著者Schiffer, C.A., Kolli, 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 (2.15 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
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
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
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
4XXO
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CRYSTAL STRUCTURE OF HUMAN APOBEC3A
分子名称:DNA dC->dU-editing enzyme APOBEC-3A, ZINC ION, CHLORIDE ION
著者Bohn, M.F., Shandilya, S.M.D., Schiffer, C.A.
登録日2015-01-30
公開日2015-04-29
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.843 Å)
主引用文献The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization.
Structure, 23, 2015
6DGX
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 WT 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 (2.001 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DGY
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 WT 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 (1.954 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DGZ
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 WT 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 (1.994 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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
6DH1
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE NL4-3 I84V 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 (1.971 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019