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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
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
3LIN	crystal structure of HTLV protease complexed with the inhibitor, KNI-10562 Descriptor: N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide, Protease Authors: Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. Deposit date: 2010-01-25 Release date: 2010-07-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
3LIQ	Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673 Descriptor: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide, Protease Authors: Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. Deposit date: 2010-01-25 Release date: 2010-07-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
4EJL	Apo HIV Protease (PR) dimer in closed form with fragment 1F1-N in the outside/top of flap Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Tiefenbrunn, T, Stout, C.D. Deposit date: 2012-04-06 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.445 Å) Cite: Small molecule regulation of protein conformation by binding in the Flap of HIV protease. Acs Chem.Biol., 8, 2013
3LIY	crystal structure of HTLV protease complexed with Statine-containing peptide inhibitor Descriptor: DI(HYDROXYETHYL)ETHER, Protease, statine-containing inhibitor Authors: Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. Deposit date: 2010-01-25 Release date: 2010-07-14 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
3LIX	crystal structure of htlv protease complexed with the inhibitor KNI-10729 Descriptor: N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide, Protease, ZINC ION Authors: Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. Deposit date: 2010-01-25 Release date: 2010-07-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
4EJ8	Apo HIV Protease (PR) dimer in closed form with fragment 1F1 in the outside/top of flap Descriptor: 1,2-ETHANEDIOL, 1H-indole-6-carboxylic acid, DIMETHYL SULFOXIDE, ... Authors: Tiefenbrunn, T, Stout, C.D. Deposit date: 2012-04-06 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.347 Å) Cite: Small molecule regulation of protein conformation by binding in the Flap of HIV protease. Acs Chem.Biol., 8, 2013
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
4EJK	HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1-N in the outside/top of flap Descriptor: INDOLYLPROPIONIC ACID, Protease, pepstatin Authors: Tiefenbrunn, T, Stout, C.D. Deposit date: 2012-04-06 Release date: 2013-05-01 Last modified: 2018-03-07 Method: X-RAY DIFFRACTION (1.794 Å) Cite: Small molecule regulation of protein conformation by binding in the Flap of HIV protease. Acs Chem.Biol., 8, 2013
3LIV	crystal structure of HTLV protease complexed with the inhibitor KNI-10683 Descriptor: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, Protease Authors: Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. Deposit date: 2010-01-25 Release date: 2010-07-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
4E43	HIV protease (PR) dimer with acetate in exo site and peptide in active site Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... Authors: Stout, C.D. Deposit date: 2012-03-11 Release date: 2012-05-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Fragment-based screen against HIV protease. Chem.Biol.Drug Des., 75, 2010
4EJD	HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1 in the outside/top of flap Descriptor: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, GLYCEROL, ... Authors: Tiefenbrunn, T, Stout, C.D. Deposit date: 2012-04-06 Release date: 2013-05-01 Last modified: 2014-02-19 Method: X-RAY DIFFRACTION (1.103 Å) Cite: Small molecule regulation of protein conformation by binding in the Flap of HIV protease. Acs Chem.Biol., 8, 2013
4EXH	The crystal structure of xmrv protease complexed with acetyl-pepstatin Descriptor: ACETYL-PEPSTATIN, FORMIC ACID, Putative gag-pro-pol polyprotein Authors: Li, M, Wlodawer, A. Deposit date: 2012-04-30 Release date: 2012-08-01 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Inhibition of XMRV and HIV-1 proteases by pepstatin A and acetyl-pepstatin. Febs J., 279, 2012
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
3LIT	The crystal structure of htlv protease complexed with the inhibitor KNI-10681 Descriptor: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide, Protease Authors: Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. Deposit date: 2010-01-25 Release date: 2010-07-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
4F74	Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA. Descriptor: N terminal product of substrate MA-CA, Protease Authors: Schiffer, C.A, Mittal, S, Nalam, M.N.L. Deposit date: 2012-05-15 Release date: 2013-05-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA. To be Published
4F73	Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site Descriptor: ACETATE ION, GLYCEROL, N terminal product of substrate CA-p2, ... Authors: Schiffer, C.A, Mittal, S, Nalam, M.N.L. Deposit date: 2012-05-15 Release date: 2013-05-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site To be Published
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
4F76	Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate Descriptor: C terminal product of substrate p1-p6, N terminal product of substrate p1-p6, Protease Authors: Schiffer, C.A, Nalam, M.N.L, Mittal, S. Deposit date: 2012-05-15 Release date: 2013-05-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate To be Published
3M9F	HIV protease complexed with compound 10b Descriptor: CHLORIDE ION, HIV-1 protease, N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide Authors: Su, H.P. Deposit date: 2010-03-22 Release date: 2010-06-30 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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
4FL8	HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate Descriptor: CHLORIDE ION, GLYCEROL, HIV-1 protease, ... Authors: Tie, Y.F, Shen, C.H, Weber, I.T. Deposit date: 2012-06-14 Release date: 2012-10-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease. Biochemistry, 51, 2012
3LZU	Crystal Structure of a Nelfinavir Resistant HIV-1 CRF01_AE Protease variant (N88S) 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, Bandaranayake, R.M. Deposit date: 2010-03-01 Release date: 2010-08-11 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.76 Å) Cite: The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways. J.Virol., 84, 2010
4FE6	Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease Authors: Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H. Deposit date: 2012-05-29 Release date: 2012-07-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Enamino-oxindole HIV protease inhibitors. Bioorg.Med.Chem.Lett., 22, 2012

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