2QI4
| Crystal structure of protease inhibitor, MIT-2-AD93 in complex with wild type HIV-1 protease | 分子名称: | ACETATE ION, N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE, PHOSPHATE ION, ... | 著者 | Nalam, M.N.L, Schiffer, C.A. | 登録日 | 2007-07-03 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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2QI5
| Crystal structure of protease inhibitor, MIT-2-KC08 in complex with wild type HIV-1 protease | 分子名称: | N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE, PHOSPHATE ION, Protease | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2007-07-03 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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2QI6
| Crystal structure of protease inhibitor, MIT-2-KB98 in complex with wild type HIV-1 protease | 分子名称: | N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE, PHOSPHATE ION, Protease | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2007-07-03 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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2QI7
| Crystal structure of protease inhibitor, MIT-2-AD86 in complex with wild type HIV-1 protease | 分子名称: | ACETATE ION, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE, PHOSPHATE ION, ... | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2007-07-03 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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2QMP
| Crystal Structure of HIV-1 protease complexed with PL-100 | 分子名称: | N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Pol polyprotein | 著者 | Allison, T.J. | 登録日 | 2007-07-16 | 公開日 | 2008-07-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of HIV-1 protease complexed with PL-100 To be Published
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2QNN
| HIV-1 protease in complex with a multiple decorated pyrrolidine-based inhibitor | 分子名称: | 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide, CHLORIDE ION, GLYCEROL, ... | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-07-19 | 公開日 | 2008-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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2QNP
| HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide] | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-07-19 | 公開日 | 2008-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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2QNQ
| HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide) | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-07-19 | 公開日 | 2008-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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2R38
| I84V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | 分子名称: | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-08-29 | 公開日 | 2008-09-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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2R3T
| I50V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | 分子名称: | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-08-30 | 公開日 | 2008-09-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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2R3W
| I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-08-30 | 公開日 | 2008-09-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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2R43
| I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ... | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-08-30 | 公開日 | 2008-09-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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2R5P
| Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Indinavir | 分子名称: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, Protease, ... | 著者 | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | 登録日 | 2007-09-04 | 公開日 | 2007-11-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease Biochemistry, 47, 2008
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2R5Q
| Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Nelfinavir | 分子名称: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | 著者 | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | 登録日 | 2007-09-04 | 公開日 | 2007-11-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease Biochemistry, 47, 2008
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2R8N
| Structural Analysis of the Unbound Form of HIV-1 Subtype C Protease | 分子名称: | GLYCEROL, Pol protein | 著者 | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | 登録日 | 2007-09-11 | 公開日 | 2008-07-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | High-resolution structure of unbound human immunodeficiency virus 1 subtype C protease: implications of flap dynamics and drug resistance. Acta Crystallogr.,Sect.D, 64, 2008
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2RKF
| HIV-1 PR resistant mutant + LPV | 分子名称: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN, ... | 著者 | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K.G, Konvalinka, J. | 登録日 | 2007-10-16 | 公開日 | 2008-08-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region J.Virol., 82, 2008
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2RKG
| HIV-1 PR resistant mutant + LPV | 分子名称: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | 著者 | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J. | 登録日 | 2007-10-16 | 公開日 | 2008-08-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region J.Virol., 82, 2008
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2RSP
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2SAM
| STRUCTURE OF THE PROTEASE FROM SIMIAN IMMUNODEFICIENCY VIRUS: COMPLEX WITH AN IRREVERSIBLE NON-PEPTIDE INHIBITOR | 分子名称: | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL, SIV PROTEASE | 著者 | Rose, R.B, Rose, J.R, Salto, R, Craik, C.S, Stroud, R.M. | 登録日 | 1994-07-08 | 公開日 | 1994-10-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the protease from simian immunodeficiency virus: complex with an irreversible nonpeptide inhibitor. Biochemistry, 32, 1993
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2UPJ
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2UXZ
| Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic | 分子名称: | HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | 著者 | Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K. | 登録日 | 2007-04-02 | 公開日 | 2008-05-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic. J.Med.Chem., 51, 2008
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2UY0
| Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic | 分子名称: | HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | 著者 | Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K. | 登録日 | 2007-04-02 | 公開日 | 2008-05-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic. J.Med.Chem., 51, 2008
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2WHH
| HIV-1 protease tethered dimer Q-product complex along with nucleophilic water molecule | 分子名称: | GLUTAMIC ACID, PARA-NITROPHENYLALANINE, POL PROTEIN | 著者 | Prashar, V, Bihani, S, Das, A, Ferrer, J.L, Hosur, M.V. | 登録日 | 2009-05-05 | 公開日 | 2009-12-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Catalytic Water Co-Existing with a Product Peptide in the Active Site of HIV-1 Protease Revealed by X- Ray Structure Analysis. Plos One, 4, 2009
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2WKZ
| HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | 分子名称: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | 著者 | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | 登録日 | 2009-06-19 | 公開日 | 2009-12-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells. J.Med.Chem., 53, 2010
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2WL0
| HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | 分子名称: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | 著者 | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | 登録日 | 2009-06-19 | 公開日 | 2009-12-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells. J.Med.Chem., 53, 2010
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