PDB: 960 resultsInfo pagesStatus searchChemie searchBIRD

---

2AOE	crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog CA-P2 Descriptor: ACETIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. Deposit date: 2005-08-12 Release date: 2006-01-17 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
2AOI	Crystal structure analysis of HIV-1 protease with a substrate analog P1-P6 Descriptor: PEPTIDE INHIBITOR, POL POLYPROTEIN, SULFATE ION Authors: Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. Deposit date: 2005-08-12 Release date: 2006-01-17 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
2AVM	Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S Descriptor: ACETIC ACID, GLYCEROL, HIV-1 protease, ... Authors: Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. Deposit date: 2005-08-30 Release date: 2006-01-24 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
2AOF	Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P1-P6 Descriptor: ACETIC ACID, CHLORIDE ION, PEPTIDE INHIBITOR, ... Authors: Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. Deposit date: 2005-08-12 Release date: 2006-01-17 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
2AQU	Structure of HIV-1 protease bound to 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, HIV-1 Protease Authors: Clemente, J.C, Coman, R.M, Thiaville, M.M, Janka, L.K, Jeung, J.A, Nukoolkarn, S, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Leelamanit, W, Goodenow, M.M, Dunn, B.M. Deposit date: 2005-08-18 Release date: 2006-08-29 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2 Å) Cite: Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Biochemistry, 45, 2006
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
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
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
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
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
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
4FIV	FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 Descriptor: 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, FELINE IMMUNODEFICIENCY VIRUS PROTEASE Authors: Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. Deposit date: 1998-07-15 Release date: 1999-01-13 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV. Protein Sci., 7, 1998
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
4DQG	Crystal Structure of apo(G16C/L38C) HIV-1 Protease Descriptor: ACETATE ION, Aspartyl protease, GLYCEROL, ... 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 (2.79 Å) Cite: Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
4DFG	Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A Descriptor: CHLORIDE ION, Protease, SODIUM ION, ... Authors: Wang, Y.-F, Agniswamy, J, Weber, I.T. Deposit date: 2012-01-23 Release date: 2012-03-21 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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
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
4FM6	HIV-1 protease mutant V32I complexed with reaction intermediate Descriptor: CHLORIDE ION, GLYCEROL, HIV-1 protease, ... Authors: Shen, C.H, Weber, I.T. Deposit date: 2012-06-15 Release date: 2012-10-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease. Biochemistry, 51, 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
4FLG	HIV-1 protease mutant I47V complexed with reaction intermediate Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... Authors: Yu, X, Shen, C.H, Weber, I.T. Deposit date: 2012-06-14 Release date: 2012-10-17 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.31 Å) Cite: Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease. Biochemistry, 51, 2012
4F75	Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN Descriptor: ACETATE ION, C terminal product of substrate RH-IN, GLYCEROL, ... 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 (1.7 Å) Cite: Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN To be Published
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

<15161718192021222324252627282930>