1KF9
| PHAGE DISPLAY DERIVED VARIANT OF HUMAN GROWTH HORMONE COMPLEXED WITH TWO COPIES OF THE EXTRACELLULAR DOMAIN OF ITS RECEPTOR | Descriptor: | EXTRACELLULAR DOMAIN HUMAN GROWTH HORMONE RECEPTOR (1-238), PHAGE DISPLAY DERIVED VARIANT HUMAN GROWTH HORMONE | Authors: | Schiffer, C.A, Ultsch, M, Walsh, S, Somers, W, De Vos, A.M, Kossiakoff, A.A. | Deposit date: | 2001-11-19 | Release date: | 2002-11-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of a Phage Display Derived Variant of Human Growth Hormone Complexed to Two Copies of the Extracellular Domain of its Receptor: Evidence for Strong Structural Coupling between Receptor Binding Sites J.Mol.Biol., 316, 2002
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3OY4
| Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor 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, HIV-1 PROTEASE, ... | Authors: | Schiffer, C.A, Nalivaika, E.A, Bandaranayake, R.M. | Deposit date: | 2010-09-22 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir. To be Published
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4WF8
| Crystal structure of NS3/4A protease in complex with Asunaprevir | Descriptor: | CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protein, ... | Authors: | Schiffer, C.A, Soumana, D.I, Ali, A. | Deposit date: | 2014-09-13 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease. Acs Chem.Biol., 9, 2014
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1F7A
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4DJP
| Crystal Structure of wild-type HIV-1 Protease in Complex with MKP73 | Descriptor: | PHOSPHATE ION, Pol polyprotein, methyl (2S)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DJR
| Crystal Structure of wild-type HIV-1 Protease in Complex with MKP97 | Descriptor: | PHOSPHATE ION, Pol polyprotein, [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DQH
| Crystal Structure of (R14C/E65C) HIV-1 Protease in complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Wild-type HIV-1 protease dimer | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DQB
| Crystal Structure of wild-type HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DJO
| Crystal Structure of wild-type HIV-1 Protease in Complex with MKP56 | Descriptor: | 2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, GLYCEROL, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DJQ
| Crystal Structure of wild-type HIV-1 Protease in Complex with MKP86 | Descriptor: | 2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, PHOSPHATE ION, Pol polyprotein | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DQC
| Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Aspartyl protease, GLYCEROL, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DQG
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4DQF
| Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DQE
| Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV | 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, Aspartyl protease | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4EP2
| Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate RT-RH | Descriptor: | GLYCEROL, PHOSPHATE ION, protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-16 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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4EPJ
| Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate p2-NC | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-17 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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4EQJ
| Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-19 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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4EQ0
| Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate p2-NC | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-17 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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3EKX
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3EKV
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3EL1
| Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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3EKY
| Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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4EP3
| Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate CA-p2 | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-16 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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4F74
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4F73
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