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1A8K
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CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES
分子名称:HIV PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
著者Weber, I.T., Wu, J., Adomat, J., Harrison, R.W., Kimmel, A.R., Wondrak, E.M., Louis, J.M.
登録日1998-03-27
公開日1999-01-13
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic analysis of human immunodeficiency virus 1 protease with an analog of the conserved CA-p2 substrate -- interactions with frequently occurring glutamic acid residue at P2' position of substrates.
Eur.J.Biochem., 249, 1997
2HS1
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ULTRA-HIGH RESOLUTION X-RAY CRYSTAL STRUCTURE OF HIV-1 PROTEASE V32I MUTANT WITH TMC114 (DARUNAVIR) INHIBITOR
分子名称:HIV-1 Protease, CHLORIDE 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Weber, I.T., Kovalevsky, A.Y.
登録日2006-07-20
公開日2006-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
2HS2
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CRYSTAL STRUCTURE OF M46L MUTANT OF HIV-1 PROTEASE COMPLEXED WITH TMC114 (DARUNAVIR)
分子名称:protease, CHLORIDE 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Weber, I.T., Kovalevsky, A.Y., Liu, F.
登録日2006-07-20
公開日2006-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
4JEC
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JOINT NEUTRON AND X-RAY STRUCTURE OF PER-DEUTERATED HIV-1 PROTEASE IN COMPLEX WITH CLINICAL INHIBITOR AMPRENAVIR
分子名称:HIV-1 protease, CHLORIDE ION, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Kovalevsky, A.Y., Weber, I.T., Langan, P.
登録日2013-02-26
公開日2013-07-24
最終更新日2018-06-13
実験手法NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION
主引用文献Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
J.Med.Chem., 56, 2013
3CYW
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EFFECT OF FLAP MUTATIONS ON STRUCTURE OF HIV-1 PROTEASE AND INHIBITION BY SAQUINAVIR AND DARUNAVIR
分子名称:HIV-1 Protease, CHLORIDE 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Liu, F., Weber, I.T.
登録日2008-04-27
公開日2008-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3CYX
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CRYSTAL STRUCTURE OF HIV-1 MUTANT I50V AND INHIBITOR SAQUINAVIRA
分子名称:HIV-1 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, SODIUM ION, ...
著者Liu, F., Weber, I.T.
登録日2008-04-27
公開日2008-05-27
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3D1X
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CRYSTAL STRUCTURE OF HIV-1 MUTANT I54M AND INHIBITOR SAQUINAVIR
分子名称:HIV-1 Protease, CHLORIDE ION, (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, ...
著者Liu, F., Weber, I.T.
登録日2008-05-06
公開日2008-06-03
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3D1Y
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CRYSTAL STRUCTURE OF HIV-1 MUTANT I54V AND INHIBITOR SAQUINA
分子名称:HIV-1 Protease, SODIUM ION, CHLORIDE ION, ...
著者Liu, F., Weber, I.T.
登録日2008-05-06
公開日2008-05-27
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3D1Z
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CRYSTAL STRUCTURE OF HIV-1 MUTANT I54M AND INHIBITOR DARUNAVIR
分子名称:HIV-1 Protease, CHLORIDE 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Liu, F., Kovalesky, A.Y., Tie, Y., Ghosh, A.K., Harrison, R.W., Weber, I.T.
登録日2008-05-07
公開日2008-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3D20
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CRYSTAL STRUCTURE OF HIV-1 MUTANT I54V AND INHIBITOR DARUNAVIA
分子名称:HIV-1 Protease, SODIUM ION, CHLORIDE ION, ...
著者Liu, F., Kovalesky, A.Y., Tie, Y., Ghosh, A.K., Harrison, R.W., Weber, I.T.
登録日2008-05-07
公開日2008-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
1A8M
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TUMOR NECROSIS FACTOR ALPHA, R31D MUTANT
分子名称:TUMOR NECROSIS FACTOR ALPHA
著者Reed, C., Fu, Z.-Q., Wu, J., Xue, Y.-N., Harrison, R.W., Chen, M.-J., Weber, I.T.
登録日1998-03-27
公開日1998-06-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of TNF-alpha mutant R31D with greater affinity for receptor R1 compared with R2.
Protein Eng., 10, 1997
1AGX
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REFINED CRYSTAL STRUCTURE OF ACINETOBACTER GLUTAMINASIFICANS GLUTAMINASE-ASPARAGINASE
分子名称:GLUTAMINASE-ASPARAGINASE
著者Lubkowski, J., Wlodawer, A., Housset, D., Weber, I.T., Ammon, H.L., Murphy, K.C., Swain, A.L.
登録日1994-07-13
公開日1994-12-20
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Refined crystal structure of Acinetobacter glutaminasificans glutaminase-asparaginase.
Acta Crystallogr.,Sect.D, 50, 1994
2IEN
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE WITH A POTENT NON-PEPTIDE INHIBITOR (UIC-94017)
分子名称:Protease, SODIUM ION, CHLORIDE ION, ...
著者Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Manna, D., Hussain, A.K., Leshchenko, S., Ghosh, A.K., Louis, J.M., Harrison, R.W., Weber, I.T.
登録日2006-09-19
公開日2006-10-03
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
3BVA
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CYSTAL STRUCTURE OF HIV-1 ACTIVE SITE MUTANT D25N AND P2-NC ANALOG INHIBITOR
分子名称:Protease (Retropepsin), GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
著者Liu, F., Weber, I.T.
登録日2008-01-05
公開日2008-04-01
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease.
J.Biol.Chem., 283, 2008
3BVB
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CYSTAL STRUCTURE OF HIV-1 ACTIVE SITE MUTANT D25N AND INHIBITOR DARUNAVIR
分子名称:Protease (Retropepsin), SODIUM ION, CHLORIDE ION, ...
著者Liu, F., Weber, I.T.
登録日2008-01-05
公開日2008-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease.
J.Biol.Chem., 283, 2008
3IL8
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CRYSTAL STRUCTURE OF INTERLEUKIN 8: SYMBIOSIS OF NMR AND CRYSTALLOGRAPHY
分子名称:INTERLEUKIN-8
著者Baldwin, E.T., Weber, I.T., St Charles, R., Xuan, J.-C., Appella, E., Yamada, M., Matsushima, K., Edwards, B.F.P., Clore, G.M., Gronenborn, A.M., Wlodawer, A.
登録日1990-12-07
公開日1992-10-15
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of interleukin 8: symbiosis of NMR and crystallography.
Proc.Natl.Acad.Sci.USA, 88, 1991
3OXC
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WILD TYPE HIV-1 PROTEASE WITH ANTIVIRAL DRUG SAQUINAVIR
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, FORMIC ACID, ...
著者Kovalevsky, A.Y., Wang, Y.-F., Tie, Y., Weber, I.T.
登録日2010-09-21
公開日2010-11-10
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir
Proteins, 67, 2007
1A1X
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CRYSTAL STRUCTURE OF MTCP-1 INVOLVED IN T CELL MALIGNANCIES
分子名称:HMTCP-1
著者Fu, Z.Q., Dubois, G.C., Song, S.P., Kulikovskaya, I., Virgilio, L., Rothstein, J., Croce, C.M., Weber, I.T., Harrison, R.W.
登録日1997-12-18
公開日1998-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of MTCP-1: implications for role of TCL-1 and MTCP-1 in T cell malignancies.
Proc.Natl.Acad.Sci.USA, 95, 1998
1A94
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STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES
分子名称:PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
著者Wu, J., Adomat, J.M., Ridky, T.W., Louis, J.M., Leis, J., Harrison, R.W., Weber, I.T.
登録日1998-04-16
公開日1999-01-13
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
1BAI
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CRYSTAL STRUCTURE OF ROUS SARCOMA VIRUS PROTEASE IN COMPLEX WITH INHIBITOR
分子名称:PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
著者Wu, J., Adomat, J.M., Ridky, T.W., Louis, J.M., Leis, J., Harrison, R.W., Weber, I.T.
登録日1998-04-17
公開日1999-01-13
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
1D53
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CRYSTAL STRUCTURE AT 1.5 ANGSTROMS RESOLUTION OF D(CGCICICG), AN OCTANUCLEOTIDE CONTAINING INOSINE, AND ITS COMPARISON WITH D(CGCG) AND D(CGCGCG) STRUCTURES
分子名称:DNA (5'-D(*CP*GP*CP*IP*CP*IP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*G)-3')
著者Kumar, V.D., Harrison, R.W., Andrews, L.C., Weber, I.T.
登録日1992-11-05
公開日1993-04-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure at 1.5-A resolution of d(CGCICICG), an octanucleotide containing inosine, and its comparison with d(CGCG) and d(CGCGCG) structures.
Biochemistry, 31, 1992
1D77
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CRYSTAL STRUCTURE OF A B-DNA DODECAMER CONTAINING INOSINE, D(CGCIAATTCGCG), AT 2.4 ANGSTROMS RESOLUTION AND ITS COMPARISON WITH OTHER B-DNA DODECAMERS
分子名称:DNA (5'-D(*CP*GP*CP*IP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Xuan, J.C., Weber, I.T.
登録日1992-05-30
公開日1993-07-15
最終更新日2012-06-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a B-DNA dodecamer containing inosine, d(CGCIAATTCGCG), at 2.4 A resolution and its comparison with other B-DNA dodecamers.
Nucleic Acids Res., 20, 1992
1DAZ
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STRUCTURAL AND KINETIC ANALYSIS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE
分子名称:HIV-1 PROTEASE (RETROPEPSIN), N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
著者Mahalingam, B., Louis, J.M., Reed, C.C., Adomat, J.M., Krouse, J., Wang, Y.F., Harrison, R.W., Weber, I.T.
登録日1999-11-01
公開日2000-05-03
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
1DW6
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STRUCTURAL AND KINETIC ANALYSIS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE
分子名称:HIV-1 PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
著者Mahalingam, B., Louis, J.M., Reed, C.C., Adomat, J.M., Krouse, J., Wang, Y.F., Harrison, R.W., Weber, I.T.
登録日2000-01-24
公開日2000-07-26
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
1EBK
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STRUCTURAL AND KINETIC ANALYSIS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE
分子名称:HIV-1 PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
著者Mahalingam, B., Louis, J.M., Reed, C.C., Adomat, J.M., Krouse, J., Wang, Y.F., Harrison, R.W., Weber, I.T.
登録日2000-01-24
公開日2000-07-26
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999