3NYF
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3NNE
| Crystal structure of choline oxidase S101A mutant | 分子名称: | ACETATE ION, Choline oxidase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Wang, Y.-F, Finnegan, S, Yuan, H, Orville, A.M, Weber, I.T, Gadda, G. | 登録日 | 2010-06-23 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Structural and kinetic studies on the Ser101Ala variant of choline oxidase: Catalysis by compromise. Arch.Biochem.Biophys., 501, 2010
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3NYE
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3NUJ
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3NU4
| Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir | 分子名称: | CHLORIDE ION, SODIUM ION, protease, ... | 著者 | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2010-07-06 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
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3NUO
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3NU9
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3MWS
| Crystal Structure of Group N HIV-1 Protease | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease | 著者 | Sayer, J.M, Agniswamy, J, Weber, I.T, Louis, J.M. | 登録日 | 2010-05-06 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: relevance to drug resistance. Protein Sci., 19, 2010
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3NU3
| Wild Type HIV-1 Protease with Antiviral Drug Amprenavir | 分子名称: | CHLORIDE ION, GLYCEROL, Protease, ... | 著者 | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2010-07-06 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
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3NYC
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3OK9
| Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A | 分子名称: | (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, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2010-08-24 | 公開日 | 2010-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | 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 | 分子名称: | (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, ... | 著者 | Zhang, Y, Weber, I.T. | 登録日 | 2010-12-08 | 公開日 | 2011-04-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | 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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3EC0
| High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-06579A | 分子名称: | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | 著者 | Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2008-08-28 | 公開日 | 2008-09-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008
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3EBZ
| High Resolution HIV-2 Protease Structure in Complex with Clinical Drug Darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | 著者 | Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2008-08-28 | 公開日 | 2008-09-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008
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3ECG
| High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-98065 | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | 著者 | Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2008-08-29 | 公開日 | 2008-09-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008
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3DK1
| Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0105A | 分子名称: | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.F, Weber, I.T. | 登録日 | 2008-06-24 | 公開日 | 2009-05-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies Org.Biomol.Chem., 6, 2008
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3DJK
| Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A | 分子名称: | (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.F, Weber, I.T. | 登録日 | 2008-06-23 | 公開日 | 2008-09-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies J.Med.Chem., 51, 2008
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3GJR
| Caspase-3 Binds Diverse P4 Residues in Peptides | 分子名称: | Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ... | 著者 | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | 登録日 | 2009-03-09 | 公開日 | 2009-03-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
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3GJT
| Caspase-3 Binds Diverse P4 Residues in Peptides | 分子名称: | Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor | 著者 | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | 登録日 | 2009-03-09 | 公開日 | 2009-03-24 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
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3GJS
| Caspase-3 Binds Diverse P4 Residues in Peptides | 分子名称: | Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17 | 著者 | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | 登録日 | 2009-03-09 | 公開日 | 2009-03-24 | 最終更新日 | 2011-08-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
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3QAA
| HIV-1 wild type protease with a substituted bis-Tetrahydrofuran inhibitor, GRL-044-10A | 分子名称: | (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, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2011-01-10 | 公開日 | 2011-12-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 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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3PWR
| HIV-1 Protease Mutant L76V complexed with Saquinavir | 分子名称: | (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, ... | 著者 | Zhang, Y, Weber, I.T. | 登録日 | 2010-12-08 | 公開日 | 2011-04-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | 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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3S43
| HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug amprenavir | 分子名称: | GLYCEROL, IODIDE ION, Protease, ... | 著者 | Wang, Y.-F, Tie, Y.-F, Weber, I.T. | 登録日 | 2011-05-18 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | 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 | 分子名称: | CHLORIDE ION, IMIDAZOLE, Protease, ... | 著者 | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | 登録日 | 2011-05-18 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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3S56
| HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug saquinavir | 分子名称: | (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 | 著者 | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | 登録日 | 2011-05-20 | 公開日 | 2012-03-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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