5GWB
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3DOX
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![BU of 3dox by Molmil](/molmil-images/mine/3dox) | X-ray structure of HIV-1 protease in situ product complex | Descriptor: | A PEPTIDE SUBSTRATE-PIV, A PEPTIDE SUBSTRATE-SQNY, HIV-1 PROTEASE | Authors: | Hosur, M.V, Ferrer, J.-L, Das, A, Prashar, V, Bihani, S. | Deposit date: | 2008-07-07 | Release date: | 2008-09-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of HIV-1 protease in situ product complex Proteins, 74, 2009
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2NPH
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![BU of 2nph by Molmil](/molmil-images/mine/2nph) | Crystal structure of HIV1 protease in situ product complex | Descriptor: | PROTEASE RETROPEPSIN, pentapeptide fragment, tetrapeptide fragment | Authors: | Hosur, M.V, Das, A, Prashar, V. | Deposit date: | 2006-10-27 | Release date: | 2006-12-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates Proc.Natl.Acad.Sci.Usa, 103, 2006
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4QLH
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1HVJ
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![BU of 1hvj by Molmil](/molmil-images/mine/1hvj) | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-01-26 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
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1HVI
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![BU of 1hvi by Molmil](/molmil-images/mine/1hvi) | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-01-26 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
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1HVK
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![BU of 1hvk by Molmil](/molmil-images/mine/1hvk) | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-01-26 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
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1HVL
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![BU of 1hvl by Molmil](/molmil-images/mine/1hvl) | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-01-26 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
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2BBV
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![BU of 2bbv by Molmil](/molmil-images/mine/2bbv) | THE REFINED THREE-DIMENSIONAL STRUCTURE OF AN INSECT VIRUS AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, PROTEIN (BLACK BEETLE VIRUS CAPSID PROTEIN), RNA (5'-R(*UP*CP*UP*UP*AP*UP*AP*UP*CP*U)-3') | Authors: | Wery, J.-P, Reddy, V.S, Hosur, M.V, Johnson, J.E. | Deposit date: | 1994-06-06 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The refined three-dimensional structure of an insect virus at 2.8 A resolution. J.Mol.Biol., 235, 1994
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5YRS
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![BU of 5yrs by Molmil](/molmil-images/mine/5yrs) | X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Its SIHB with Catalytic Aspartate | Descriptor: | PROTEASE, RT-RH oligopeprtide | Authors: | Das, A, Mahale, S, Prashar, V, Bihani, S, Ferrer, J.-L, Hosur, M.V. | Deposit date: | 2017-11-10 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-ray snapshot of HIV-1 protease in action: observation of tetrahedral intermediate and short ionic hydrogen bond SIHB with catalytic aspartate. J. Am. Chem. Soc., 132, 2010
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2WHH
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![BU of 2whh by Molmil](/molmil-images/mine/2whh) | HIV-1 protease tethered dimer Q-product complex along with nucleophilic water molecule | Descriptor: | GLUTAMIC ACID, PARA-NITROPHENYLALANINE, POL PROTEIN | Authors: | Prashar, V, Bihani, S, Das, A, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2009-05-05 | Release date: | 2009-12-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | 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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7DPQ
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![BU of 7dpq by Molmil](/molmil-images/mine/7dpq) | HIV-1 Protease D30N mutant | Descriptor: | Protease | Authors: | Bihani, S.C, Hosur, M.V. | Deposit date: | 2020-12-21 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease. J.Biomol.Struct.Dyn., 2021
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7DOZ
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![BU of 7doz by Molmil](/molmil-images/mine/7doz) | HIV-1 Protease D30N mutant in complex with Nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | Authors: | Bihani, S.C, Hosur, M.V. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease. J.Biomol.Struct.Dyn., 2021
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7DT9
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![BU of 7dt9 by Molmil](/molmil-images/mine/7dt9) | D30N HIV Protease in complex with Saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease | Authors: | Bihani, S.C, Hosur, M.V. | Deposit date: | 2021-01-04 | Release date: | 2022-01-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | D30N HIV Protease in complex with Saquinavir To Be Published
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1LV1
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![BU of 1lv1 by Molmil](/molmil-images/mine/1lv1) | Crystal Structure Analysis of the non-active site mutant of tethered HIV-1 protease to 2.1A resolution | Descriptor: | HIV-1 protease | Authors: | Kumar, M, Kannan, K.K, Hosur, M.V, Bhavesh, N.S, Chatterjee, A, Mittal, R, Hosur, R.V. | Deposit date: | 2002-05-24 | Release date: | 2002-06-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Effects of remote mutation on the autolysis of HIV-1 PR: X-ray and NMR investigations. Biochem.Biophys.Res.Commun., 294, 2002
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1VTF
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4Q5M
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![BU of 4q5m by Molmil](/molmil-images/mine/4q5m) | D30N tethered HIV-1 protease dimer/saquinavir complex | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease | Authors: | Prashar, V, Bihani, S.C, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2014-04-17 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Structural Basis of Why Nelfinavir-Resistant D30N Mutant of HIV-1 Protease Remains Susceptible to Saquinavir. Chem.Biol.Drug Des., 86, 2015
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4U4A
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3N3I
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![BU of 3n3i by Molmil](/molmil-images/mine/3n3i) | Crystal Structure of G48V/C95F tethered HIV-1 Protease/Saquinavir complex | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease | Authors: | Prashar, V, Bihani, S.C, Das, A, Rao, D.R, Hosur, M.V. | Deposit date: | 2010-05-20 | Release date: | 2010-06-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Insights into the mechanism of drug resistance: X-ray structure analysis of G48V/C95F tethered HIV-1 protease dimer/saquinavir complex Biochem.Biophys.Res.Commun., 396, 2010
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3Q3Q
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6A4P
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![BU of 6a4p by Molmil](/molmil-images/mine/6a4p) | HEWL crystals soaked in 2.5M GuHCl for 40 minutes | Descriptor: | CHLORIDE ION, GUANIDINE, Lysozyme C, ... | Authors: | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | Deposit date: | 2018-06-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
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6A4N
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![BU of 6a4n by Molmil](/molmil-images/mine/6a4n) | HEWL crystals soaked in 2.5M GuHCl for 8 minutes | Descriptor: | CHLORIDE ION, GLYCEROL, GUANIDINE, ... | Authors: | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | Deposit date: | 2018-06-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
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6A4Q
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![BU of 6a4q by Molmil](/molmil-images/mine/6a4q) | HEWL crystals soaked in 2.5M GuHCl for 110 minutes | Descriptor: | CHLORIDE ION, GLYCEROL, GUANIDINE, ... | Authors: | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | Deposit date: | 2018-06-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
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6A4O
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![BU of 6a4o by Molmil](/molmil-images/mine/6a4o) | HEWL crystals soaked in 2.5M GuHCl for 20 minutes | Descriptor: | CHLORIDE ION, GLYCEROL, GUANIDINE, ... | Authors: | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | Deposit date: | 2018-06-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
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3KT2
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![BU of 3kt2 by Molmil](/molmil-images/mine/3kt2) | Crystal Structure of N88D mutant HIV-1 Protease | Descriptor: | Protease | Authors: | Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2009-11-24 | Release date: | 2010-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S. Biochem.Biophys.Res.Commun., 389, 2009
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