3SPK
| Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | Descriptor: | HIV-1 protease, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | Authors: | Wang, Y, Liu, Z, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | Deposit date: | 2011-07-01 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | The higher barrier of darunavir and tipranavir resistance for HIV-1 protease. Biochem.Biophys.Res.Commun., 412, 2011
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1T7I
| The structural and thermodynamic basis for the binding of TMC114, a next-generation HIV-1 protease inhibitor. | 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, PHOSPHATE ION, ... | Authors: | King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A. | Deposit date: | 2004-05-10 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor J.Med.Chem., 48, 2005
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4A6C
| Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors | Descriptor: | METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN | Authors: | Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M. | Deposit date: | 2011-11-01 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors. J.Med.Chem., 55, 2012
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3OU4
| MDR769 HIV-1 protease complexed with TF/PR hepta-peptide | Descriptor: | HIV-1 protease, TF/PR substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OUB
| MDR769 HIV-1 protease complexed with NC/p1 hepta-peptide | Descriptor: | MDR HIV-1 protease, NC/p1 substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3R0Y
| Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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3R0W
| Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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3OTS
| MDR769 HIV-1 protease complexed with MA/CA hepta-peptide | Descriptor: | MA/CA substrate peptide, Multi-drug resistant HIV-1 protease | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-13 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OUA
| MDR769 HIV-1 protease complexed with p1/p6 hepta-peptide | Descriptor: | HIV-1 protease, p1/p6 substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OU3
| MDR769 HIV-1 protease complexed with PR/RT hepta-peptide | Descriptor: | HIV-1 protease, PR/RT substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OQD
| Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | Descriptor: | HIV-1 Protease | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | Deposit date: | 2010-09-02 | Release date: | 2011-04-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants. Acta Crystallogr.,Sect.D, 67, 2011
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3OQ7
| Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | Descriptor: | HIV-1 Protease | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | Deposit date: | 2010-09-02 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants. Acta Crystallogr.,Sect.D, 67, 2011
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3OTY
| MDR769 HIV-1 protease complexed with RT/RH hepta-peptide | Descriptor: | MDR HIV-1 protease, RT/RH substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OU1
| MDR769 HIV-1 protease complexed with RH/IN hepta-peptide | Descriptor: | MDR HIV-1 protease, RH/IN substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OUD
| MDR769 HIV-1 protease complexed with CA/p2 hepta-peptide | Descriptor: | CA/p2 substrate peptide, MDR HIV-1 protease | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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4NKK
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4A6B
| Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors | Descriptor: | METHYL ((S)-1-(2-([1,1'-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN | Authors: | Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M. | Deposit date: | 2011-11-01 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors. J.Med.Chem., 55, 2012
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4EYR
| Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir | Descriptor: | HIV-1 PROTEASE, RITONAVIR | Authors: | Liu, Z, Yedidi, R.S, Wang, Y, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | Deposit date: | 2012-05-01 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the mechanism of drug resistance: X-ray structure analysis of multi-drug resistant HIV-1 protease ritonavir complex. Biochem.Biophys.Res.Commun., 431, 2013
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4L1A
| Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance | Descriptor: | MDR769 HIV-1 protease, 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 | Authors: | Liu, Z, Yedidi, R.S, Wang, Y, Dewdney, T, Reiter, S, Brunzelle, J, Kovari, I, Kovari, L. | Deposit date: | 2013-06-03 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance. Biochem.Biophys.Res.Commun., 437, 2013
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1K6V
| LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE | Descriptor: | ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHE NYLETHYL)-PENTANAMIDE, POL polyprotein | Authors: | Schiffer, C.A. | Deposit date: | 2001-10-17 | Release date: | 2002-02-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease. Protein Sci., 11, 2002
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3OUC
| MDR769 HIV-1 protease complexed with p2/NC hepta-peptide | Descriptor: | MDR HIV-1 protease, p2/NC substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3U7S
| HIV PR drug resistant patient's variant 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, BETA-MERCAPTOETHANOL, Pol polyprotein | Authors: | Saskova, K.G, Rezacova, P, Konvalinka, J, Brynda, J, Kozisek, M. | Deposit date: | 2011-10-14 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir. J.Virol., 83, 2009
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4FAF
| Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | Descriptor: | HIV-1 protease, substrate CA/p2 peptide | Authors: | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | Deposit date: | 2012-05-22 | Release date: | 2012-08-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease. Biology (Basel), 1, 2012
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1T7J
| crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V) | Descriptor: | ACETATE ION, Pol Polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | Authors: | King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A. | Deposit date: | 2004-05-10 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor J.Med.Chem., 48, 2005
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1K6C
| LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE | Descriptor: | ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein | Authors: | Schiffer, C.A. | Deposit date: | 2001-10-15 | Release date: | 2002-02-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease. Protein Sci., 11, 2002
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