3NYC
 
 | | Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase | | Descriptor: | (2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid, D-Arginine Dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fu, G, Weber, I.T. | | Deposit date: | 2010-07-14 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Conformational changes and substrate recognition in Pseudomonas aeruginosa D-arginine dehydrogenase.
Biochemistry, 49, 2010
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3NU3
 | | Wild Type HIV-1 Protease with Antiviral Drug Amprenavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
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3NU6
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3NU5
 | | Crystal Structure of HIV-1 Protease Mutant I50V with Antiviral Drug Amprenavir | | Descriptor: | ACETATE ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Wang, Y.-F, Shen, C.H, Weber, I.T. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
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3NYF
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3NYE
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3NNE
 | | Crystal structure of choline oxidase S101A mutant | | Descriptor: | ACETATE ION, Choline oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Wang, Y.-F, Finnegan, S, Yuan, H, Orville, A.M, Weber, I.T, Gadda, G. | | Deposit date: | 2010-06-23 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural and kinetic studies on the Ser101Ala variant of choline oxidase: Catalysis by compromise.
Arch.Biochem.Biophys., 501, 2010
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3NUJ
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3NU4
 | | Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir | | Descriptor: | CHLORIDE ION, SODIUM ION, protease, ... | | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
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3NU9
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3NUO
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3OK9
 | | Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2010-08-24 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors.
Chemmedchem, 5, 2010
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3PWM
 | | HIV-1 Protease Mutant L76V with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Zhang, Y, Weber, I.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
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3PWR
 | | HIV-1 Protease Mutant L76V complexed with Saquinavir | | Descriptor: | (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, CHLORIDE ION, GLYCEROL, ... | | Authors: | Zhang, Y, Weber, I.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
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3QAA
 | | HIV-1 wild type protease with a substituted bis-Tetrahydrofuran inhibitor, GRL-044-10A | | Descriptor: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2011-01-10 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands.
ACS Med Chem Lett, 2, 2011
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3S56
 | | HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug saquinavir | | Descriptor: | (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, Protease | | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2011-05-20 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
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3S45
 | | wild-type HIV-2 protease with antiviral drug amprenavir | | Descriptor: | CHLORIDE ION, IMIDAZOLE, Protease, ... | | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2011-05-18 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
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3S53
 | | HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121 | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, IODIDE ION, PHOSPHATE ION, ... | | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2011-05-20 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
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3S54
 | | HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P21212 | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2011-05-20 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
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3S43
 | | HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug amprenavir | | Descriptor: | GLYCEROL, IODIDE ION, Protease, ... | | Authors: | Wang, Y.-F, Tie, Y.-F, Weber, I.T. | | Deposit date: | 2011-05-18 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
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3SM8
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3ST5
 | | Crystal structure of wild-type HIV-1 protease with C3-Substituted Hexahydrocyclopentafuranyl Urethane as P2-Ligand, GRL-0489A | | Descriptor: | (3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2011-07-08 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Design of HIV-1 Protease Inhibitors with C3-Substituted Hexahydrocyclopentafuranyl Urethanes as P2-Ligands: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Crystal Structure.
J.Med.Chem., 54, 2011
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3UCB
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | | Deposit date: | 2011-10-26 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
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3UFN
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Saquinavir | | Descriptor: | (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, CHLORIDE ION, HIV-1 protease | | Authors: | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | | Deposit date: | 2011-11-01 | | Release date: | 2012-03-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
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3UF3
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 | | Descriptor: | GLYCEROL, HIV-1 protease, YTTRIUM ION | | Authors: | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | | Deposit date: | 2011-10-31 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
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