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2IEN
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE WITH A POTENT NON-PEPTIDE INHIBITOR (UIC-94017)
Descriptor:Protease, SODIUM ION, CHLORIDE ION, ...
Authors: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.
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
2AOC
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT I84V WITH A SUBSTRATE ANALOG P2-NC
Descriptor:HIV-1 PROTEASE, UNKNOWN ATOM OR ION, SODIUM ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AOD
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE WITH A SUBSTRATE ANALOG P2-NC
Descriptor:HIV-1 PROTEASE, DIMETHYL SULFOXIDE, UNKNOWN ATOM OR ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AOE
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A SUBSTRATE ANALOG CA-P2
Descriptor:POL POLYPROTEIN, SODIUM ION, CHLORIDE ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AOF
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A SUBSTRATE ANALOG P1-P6
Descriptor:POL POLYPROTEIN, PEPTIDE INHIBITOR, SODIUM ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AOG
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A SUBSTRATE ANALOG P2-NC
Descriptor:HIV-1 PROTEASE (RETROPEPSIN), N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, UNKNOWN ATOM OR ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AOH
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A SUBSTRATE ANALOG P6-PR
Descriptor:POL POLYPROTEIN, PEPTIDE INHIBITOR, SODIUM ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AOI
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE WITH A SUBSTRATE ANALOG P1-P6
Descriptor:POL POLYPROTEIN, PEPTIDE INHIBITOR, SULFATE ION
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AOJ
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE WITH A SUBSTRATE ANALOG P6-PR
Descriptor:POL POLYPROTEIN, PEPTIDE INHIBITOR, DIMETHYL SULFOXIDE, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Liu, F., Chen, X., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2IDW
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A POTENT NON-PEPTIDE INHIBITOR (UIC-94017)
Descriptor:Protease, CHLORIDE ION, PHOSPHATE ION, ...
Authors: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.
Deposit date:2006-09-15
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
2IEO
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT I84V WITH A POTENT NON-PEPTIDE INHIBITOR (UIC-94017)
Descriptor:Protease, CHLORIDE ION, SODIUM ION, ...
Authors: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.
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
2NMY
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A INHIBITOR SAQUINAVIR
Descriptor:PROTEASE, CHLORIDE ION, SODIUM ION, ...
Authors:Tie, Y., Kovalevsky, A.Y., Boross, P., Wang, Y.F., Ghosh, A.K., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2006-10-23
Release date:2007-03-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
2NMZ
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A INHIBITOR SAQUINAVIR
Descriptor:PROTEASE, SULFATE 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
Authors:Tie, Y., Kovalevsky, A.Y., Boross, P., Wang, Y.F., Ghosh, A.K., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2006-10-23
Release date:2007-03-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
2NNK
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT I84V WITH A INHIBITOR SAQUINAVIR
Descriptor:PROTEASE, SODIUM ION, CHLORIDE ION, ...
Authors:Tie, Y., Kovalevsky, A.Y., Boross, P., Wang, Y.F., Ghosh, A.K., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2006-10-24
Release date:2007-03-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
2NNP
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT I84V WITH A INHIBITOR SAQUINAVIR
Descriptor: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, ACETIC ACID, ...
Authors:Tie, Y., Kovalevsky, A.Y., Boross, P., Wang, Y.F., Ghosh, A.K., Tozser, J., Harrison, R.W., Weber, I.T.
Deposit date:2006-10-24
Release date:2007-03-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
3H5B
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CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE WITH NOVEL P1'-LIGAND GRL-02031
Descriptor:HIV-1 protease, SODIUM ION, CHLORIDE ION, ...
Authors:Tie, Y., Wang, Y.F., Weber, I.T.
Deposit date:2009-04-21
Release date:2009-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies.
J.Med.Chem., 52, 2009
3JVW
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HIV-1 PROTEASE MUTANT G86A WITH SYMMETRIC INHIBITOR DMP323
Descriptor:Gag-Pol polyprotein, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
Authors:Tie, Y., Weber, I.T.
Deposit date:2009-09-17
Release date:2009-12-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease
Proteins, 78, 2009
3JVY
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HIV-1 PROTEASE MUTANT G86A WITH DARUNAVIR
Descriptor:Gag-Pol polyprotein, SODIUM ION, CHLORIDE ION, ...
Authors:Tie, Y., Weber, I.T.
Deposit date:2009-09-17
Release date:2009-12-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease
Proteins, 78, 2009
3JW2
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HIV-1 PROTEASE MUTANT G86S WITH DARUNAVIR
Descriptor:Gag-Pol polyprotein, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, SODIUM ION, ...
Authors:Tie, Y., Weber, I.T.
Deposit date:2009-09-17
Release date:2009-12-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease
Proteins, 78, 2009
3OXC
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WILD TYPE HIV-1 PROTEASE WITH ANTIVIRAL DRUG SAQUINAVIR
Descriptor: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, ...
Authors:Kovalevsky, A.Y., Wang, Y.-F., Tie, Y., Weber, I.T.
Deposit date:2010-09-21
Release date:2010-11-10
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir
Proteins, 67, 2007
2QCI
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HIV-1 PROTEASE MUTANT D30N WITH POTENT ANTIVIRAL INHIBITOR GRL-98065
Descriptor:Protease, SODIUM ION, CHLORIDE ION, ...
Authors:Wang, Y.F., Tie, Y., Boross, P.I., Tozser, J., Ghosh, A.K., Harrison, R.W., Weber, I.T.
Deposit date:2007-06-19
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
2QD6
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HIV-1 PROTEASE MUTANT I50V WITH POTENT ANTIVIRAL INHIBITOR GRL-98065
Descriptor:Protease, SODIUM ION, CHLORIDE ION, ...
Authors:Wang, Y.F., Tie, Y., Boross, P.I., Tozser, J., Ghosh, A.K., Harrison, R.W., Weber, I.T.
Deposit date:2007-06-20
Release date:2008-04-22
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
2QD7
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HIV-1 PROTEASE MUTANT V82A WITH POTENT ANTIVIRAL INHIBITOR GRL-98065
Descriptor:Protease, PHOSPHATE ION, DIMETHYL SULFOXIDE, ...
Authors:Wang, Y.F., Tie, Y., Boross, P.I., Tozser, J., Ghosh, A.K., Harrison, R.W., Weber, I.T.
Deposit date:2007-06-20
Release date:2008-04-22
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
2QD8
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HIV-1 PROTEASE MUTANT I84V WITH POTENT ANTIVIRAL INHIBITOR GRL-98065
Descriptor:Protease, SODIUM ION, CHLORIDE ION, ...
Authors:Wang, Y.F., Tie, Y., Boross, P.I., Tozser, J., Ghosh, A.K., Harrison, R.W., Weber, I.T.
Deposit date:2007-06-20
Release date:2008-04-22
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
2Z4O
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WILD TYPE HIV-1 PROTEASE WITH POTENT ANTIVIRAL INHIBITOR GRL-98065
Descriptor:Protease, SODIUM ION, CHLORIDE ION, ...
Authors:Wang, Y.F., Tie, Y., Boross, P.I., Tozser, J., Ghosh, A.K., Harrison, R.W., Weber, I.T.
Deposit date:2007-06-20
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
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