2AQ0
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![BU of 2aq0 by Molmil](/molmil-images/mine/2aq0) | Solution structure of the human homodimeric dna repair protein XPF | Descriptor: | DNA repair endonuclease XPF | Authors: | Das, D, Tripsianes, K, Folkers, G, Jaspers, N.G, Hoeijmakers, J.H, Kaptein, R, Boelens, R. | Deposit date: | 2005-08-17 | Release date: | 2006-10-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The HhH domain of the human DNA repair protein XPF forms stable homodimers Proteins, 70, 2008
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1TD6
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![BU of 1td6 by Molmil](/molmil-images/mine/1td6) | Crystal structure of the conserved hypothetical protein MP506/MPN330 (gi: 1674200)from Mycoplasma pneumoniae | Descriptor: | Hypothetical protein MG237 homolog | Authors: | Das, D, Oganesyan, N, Yokota, H, Jancarik, J, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-05-21 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the conserved hypothetical protein MPN330 (GI: 1674200) from Mycoplasma pneumoniae. Proteins, 58, 2004
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2HQL
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![BU of 2hql by Molmil](/molmil-images/mine/2hql) | |
2KN7
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![BU of 2kn7 by Molmil](/molmil-images/mine/2kn7) | Structure of the XPF-single strand DNA complex | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*GP*GP*CP*TP*GP*A)-3'), DNA repair endonuclease XPF | Authors: | Das, D, Folkers, G.E, van Dijk, M, Jaspers, N.G.J, Hoeijmakers, J.H.J, Kaptein, R, Boelens, R. | Deposit date: | 2009-08-16 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The structure of the XPF-ssDNA complex underscores the distinct roles of the XPF and ERCC1 helix- hairpin-helix domains in ss/ds DNA recognition Structure, 20, 2012
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2I6W
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![BU of 2i6w by Molmil](/molmil-images/mine/2i6w) | Crystal structure of the multidrug efflux transporter AcrB | Descriptor: | Acriflavine resistance protein B | Authors: | Das, D, Xu, Q.S, Kim, S.H. | Deposit date: | 2006-08-29 | Release date: | 2007-05-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the multidrug efflux transporter AcrB at 3.1A resolution reveals the N-terminal region with conserved amino acids. J.Struct.Biol., 158, 2007
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4MH8
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![BU of 4mh8 by Molmil](/molmil-images/mine/4mh8) | |
4NJS
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![BU of 4njs by Molmil](/molmil-images/mine/4njs) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4RVI
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![BU of 4rvi by Molmil](/molmil-images/mine/4rvi) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519 | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2014-11-26 | Release date: | 2016-05-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1 To be Published
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4RVX
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![BU of 4rvx by Molmil](/molmil-images/mine/4rvx) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL079 | Descriptor: | (4S)-4-amino-N-[(2S,3S)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide, HIV-1 Protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2014-11-28 | Release date: | 2016-05-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.955 Å) | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1. To be Published
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4TW3
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![BU of 4tw3 by Molmil](/molmil-images/mine/4tw3) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-06-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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6MK9
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![BU of 6mk9 by Molmil](/molmil-images/mine/6mk9) | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease | Authors: | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | Deposit date: | 2018-09-25 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121 To Be Published
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6MKL
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![BU of 6mkl by Molmil](/molmil-images/mine/6mkl) | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | Deposit date: | 2018-09-25 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-function analysis of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142. To Be Published
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1Z00
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![BU of 1z00 by Molmil](/molmil-images/mine/1z00) | Solution structure of the C-terminal domain of ERCC1 complexed with the C-terminal domain of XPF | Descriptor: | DNA excision repair protein ERCC-1, DNA repair endonuclease XPF | Authors: | Tripsianes, K, Folkers, G, Ab, E, Das, D, Odijk, H, Jaspers, N.G.J, Hoeijmakers, J.H.J, Kaptein, R, Boelens, R. | Deposit date: | 2005-03-01 | Release date: | 2005-12-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The Structure of the Human ERCC1/XPF Interaction Domains Reveals a Complementary Role for the Two Proteins in Nucleotide Excision Repair Structure, 13, 2005
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2BJC
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![BU of 2bjc by Molmil](/molmil-images/mine/2bjc) | NMR structure of a protein-DNA complex of an altered specificity mutant of the lac repressor headpiece that mimics the gal repressor | Descriptor: | 5'-D(*GP*AP*AP*TP*TP*GP*TP*AP*AP*GP *CP*GP*CP*TP*TP*AP*CP*AP*AP*TP*TP*C)-3', LACTOSE OPERON REPRESSOR | Authors: | Salinas, R.K, Folkers, G.E, Bonvin, A.M.J.J, Das, D, Boelens, R, Kaptein, R. | Deposit date: | 2005-02-01 | Release date: | 2005-10-18 | Last modified: | 2020-01-15 | Method: | SOLUTION NMR | Cite: | Altered Specificity in DNA Binding by the Lac Repressor: A Mutant Lac Headpiece that Mimics the Gal Repressor Chembiochem, 6, 2005
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3H98
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![BU of 3h98 by Molmil](/molmil-images/mine/3h98) | Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative | Descriptor: | GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L. | Deposit date: | 2009-04-30 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives. Bioorg.Med.Chem.Lett., 19, 2009
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5KAO
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![BU of 5kao by Molmil](/molmil-images/mine/5kao) | Crystal structure of wild type HIV-1 protease in complex with GRL-10413 | Descriptor: | [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate, protease | Authors: | Yedidi, R.S, Delino, N.S, Das, D, Kaufman, J.D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2016-06-01 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Modified P1 Moiety Enhances In Vitro Antiviral Activity against Various Multidrug-Resistant HIV-1 Variants and In Vitro Central Nervous System Penetration Properties of a Novel Nonpeptidic Protease Inhibitor, GRL-10413. Antimicrob.Agents Chemother., 60, 2016
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4KVQ
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![BU of 4kvq by Molmil](/molmil-images/mine/4kvq) | Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase wild type with palmitic acid bound | Descriptor: | Aldehyde decarbonylase, FE (III) ION, PALMITIC ACID | Authors: | Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S. | Deposit date: | 2013-05-23 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase. Chembiochem, 14, 2013
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4KVS
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![BU of 4kvs by Molmil](/molmil-images/mine/4kvs) | Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant A134F) | Descriptor: | Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID | Authors: | Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S. | Deposit date: | 2013-05-23 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase. Chembiochem, 14, 2013
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2Y4W
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![BU of 2y4w by Molmil](/molmil-images/mine/2y4w) | Solution structure of human ubiquitin conjugating enzyme Rad6b | Descriptor: | UBIQUITIN-CONJUGATING ENZYME E2 B | Authors: | Huang, A, Hibbert, R.G, deJong, R.N, Das, D, Sixma, T.K, Boelens, R. | Deposit date: | 2011-01-11 | Release date: | 2011-05-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Symmetry and Asymmetry of the Ring-Ring Dimer of Rad18 J.Mol.Biol., 410, 2011
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4KVR
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![BU of 4kvr by Molmil](/molmil-images/mine/4kvr) | Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant V41Y) | Descriptor: | Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID | Authors: | Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S. | Deposit date: | 2013-05-23 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase. Chembiochem, 14, 2013
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1NND
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![BU of 1nnd by Molmil](/molmil-images/mine/1nnd) | Arginine 116 is Essential for Nucleic Acid Recognition by the Fingers Domain of Moloney Murine Leukemia Virus Reverse Transcriptase | Descriptor: | Reverse Transcriptase | Authors: | Crowther, R.L, Remeta, D.P, Minetti, C.A, Das, D, Montano, S.P, Georgiadis, M.M. | Deposit date: | 2003-01-13 | Release date: | 2004-01-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and energetic characterization of nucleic acid-binding to the fingers domain of Moloney murine leukemia virus reverse transcriptase Proteins, 57, 2004
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2JPD
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![BU of 2jpd by Molmil](/molmil-images/mine/2jpd) | Solution structure of the ERCC1 central domain | Descriptor: | DNA excision repair protein ERCC-1 | Authors: | Tripsianes, K, Folkers, G, Zheng, C, Das, D, Grinstead, J.S, Kaptein, R, Boelens, R. | Deposit date: | 2007-05-06 | Release date: | 2007-09-04 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Analysis of the XPA and ssDNA-binding surfaces on the central domain of human ERCC1 reveals evidence for subfunctionalization Nucleic Acids Res., 35, 2007
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4HLA
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![BU of 4hla by Molmil](/molmil-images/mine/4hla) | Crystal structure of wild type HIV-1 protease 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, Protease | Authors: | Yedidi, R.S, Garimella, H, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2012-10-16 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
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4I8W
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![BU of 4i8w by Molmil](/molmil-images/mine/4i8w) | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL007 | Descriptor: | 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid, Protease | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2012-12-04 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
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4I8Z
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![BU of 4i8z by Molmil](/molmil-images/mine/4i8z) | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2012-12-04 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
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