4N47
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![BU of 4n47 by Molmil](/molmil-images/mine/4n47) | Structure of Thermus thermophilus Argonaute bound to guide DNA and 12-mer target DNA | Descriptor: | 5'-D(*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', Argonaute, ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-08 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.823 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
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2WUS
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![BU of 2wus by Molmil](/molmil-images/mine/2wus) | Bacterial actin MreB assembles in complex with cell shape protein RodZ | Descriptor: | PUTATIVE UNCHARACTERIZED PROTEIN, ROD SHAPE-DETERMINING PROTEIN MREB | Authors: | van den Ent, F, Johnson, C.M, Persons, L, deBoer, P, Lowe, J. | Deposit date: | 2009-10-08 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Bacterial Actin Mreb Assembles in Complex with Cell Shape Protein Rodz. Embo J., 29, 2010
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6GJP
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![BU of 6gjp by Molmil](/molmil-images/mine/6gjp) | Cyclophilin A complexed with tri-vector ligand 7. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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4MZW
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![BU of 4mzw by Molmil](/molmil-images/mine/4mzw) | CRYSTAL STRUCTURE OF NU-CLASS GLUTATHIONE TRANSFERASE YGHU FROM Streptococcus sanguinis SK36, COMPLEX WITH GLUTATHIONE DISULFIDE, TARGET EFI-507286 | Descriptor: | ACETATE ION, Glutathione S-Transferase, OXIDIZED GLUTATHIONE DISULFIDE | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-30 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Glutathione S-Transferase Yghu (Target Efi-507286) To be Published
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3SQF
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![BU of 3sqf by Molmil](/molmil-images/mine/3sqf) | Crystal structure of monomeric M-PMV retroviral protease | Descriptor: | Protease | Authors: | Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders | Deposit date: | 2011-07-05 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6324 Å) | Cite: | Crystal structure of a monomeric retroviral protease solved by protein folding game players. Nat.Struct.Mol.Biol., 18, 2011
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4NEY
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![BU of 4ney by Molmil](/molmil-images/mine/4ney) | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-30 | Release date: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.323 Å) | Cite: | Northeast Structural Genomics Consortium Target OR277 To be published
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2WP9
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![BU of 2wp9 by Molmil](/molmil-images/mine/2wp9) | Crystal structure of the E. coli succinate:quinone oxidoreductase (SQR) SdhB His207Thr mutant | Descriptor: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | Deposit date: | 2009-08-03 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Perturbation of the quinone-binding site of complex II alters the electronic properties of the proximal [3Fe-4S] iron-sulfur cluster. J. Biol. Chem., 286, 2011
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4NXE
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![BU of 4nxe by Molmil](/molmil-images/mine/4nxe) | Crystal structure of iLOV-I486(2LT) at pH 6.5 | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Wang, J, Liu, X, Li, J. | Deposit date: | 2013-12-09 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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6H0E
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![BU of 6h0e by Molmil](/molmil-images/mine/6h0e) | FAB dmCBTAU-22.1 IN COMPLEX WITH TAU PEPTIDE V1088-23 | Descriptor: | GLYCEROL, HUMAN FAB ANTIBODY FRAGMENT OF dmCBTAU-22.1, Microtubule-associated protein tau | Authors: | Juraszek, J, Steinbacher, S. | Deposit date: | 2018-07-09 | Release date: | 2018-07-25 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Enhancement of therapeutic potential of a naturally occurring human antibody targeting a phosphorylated Ser422containing epitope on pathological tau. Acta Neuropathol Commun, 6, 2018
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6GJN
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![BU of 6gjn by Molmil](/molmil-images/mine/6gjn) | Cyclophilin A complexed with tri-vector ligand 15. | Descriptor: | 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea, FORMIC ACID, GLYCEROL, ... | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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4NCW
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![BU of 4ncw by Molmil](/molmil-images/mine/4ncw) | foldon domain wild type C-conjugate | Descriptor: | Fibritin, N,N',N''-triethylbenzene-1,3,5-tricarboxamide | Authors: | Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J. | Deposit date: | 2013-10-25 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer. Org.Biomol.Chem., 12, 2014
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4NPJ
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![BU of 4npj by Molmil](/molmil-images/mine/4npj) | Extended-Synaptotagmin 2, C2A- and C2B-domains | Descriptor: | ACETATE ION, CHLORIDE ION, Extended synaptotagmin-2, ... | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2013-11-21 | Release date: | 2014-01-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structure and ca(2+)-binding properties of the tandem c2 domains of e-syt2. Structure, 22, 2014
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4NP9
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![BU of 4np9 by Molmil](/molmil-images/mine/4np9) | Structure of Rabphilin C2A domain bound to IP3 | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rabphilin-3A, SULFATE ION | Authors: | Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-Sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S. | Deposit date: | 2013-11-21 | Release date: | 2013-12-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1. Proc.Natl.Acad.Sci.USA, 110, 2013
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1JP5
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![BU of 1jp5 by Molmil](/molmil-images/mine/1jp5) | Crystal structure of the single-chain Fv fragment 1696 in complex with the epitope peptide corresponding to N-terminus of HIV-1 protease | Descriptor: | epitope peptide corresponding to N-terminus of HIV-1 protease, single-chain Fv fragment 1696 | Authors: | Rezacova, P, Lescar, J, Brynda, J, Fabry, M, Horejsi, M, Sedlacek, J, Bentley, G.A. | Deposit date: | 2001-08-01 | Release date: | 2001-10-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of HIV-1 and HIV-2 protease inhibition by a monoclonal antibody. Structure, 9, 2001
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3QB8
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![BU of 3qb8 by Molmil](/molmil-images/mine/3qb8) | Paramecium Chlorella Bursaria Virus1 Putative ORF A654L is a Polyamine Acetyltransferase | Descriptor: | A654L protein, COENZYME A, IMIDAZOLE | Authors: | Charlop-Powers, Z, Zhou, M.-M, Jakoncic, J, Gurnon, J, Van Etten, J. | Deposit date: | 2011-01-12 | Release date: | 2012-01-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Paramecium bursaria chlorella virus 1 encodes a polyamine acetyltransferase. J. Biol. Chem., 287, 2012
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7XRY
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![BU of 7xry by Molmil](/molmil-images/mine/7xry) | Crystal structure of MERS main protease in complex with inhibitor YH-53 | Descriptor: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2022-05-12 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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4M3N
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![BU of 4m3n by Molmil](/molmil-images/mine/4m3n) | Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279, NYSGRC Target 029804. | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-06 | Release date: | 2013-08-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279, NYSGRC Target 029804. To be Published
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7XRS
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![BU of 7xrs by Molmil](/molmil-images/mine/7xrs) | Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53 | Descriptor: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-05-11 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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4M8X
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![BU of 4m8x by Molmil](/molmil-images/mine/4m8x) | GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | Authors: | Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. | Deposit date: | 2013-08-14 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions. J.Virol., 88, 2014
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7YGQ
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![BU of 7ygq by Molmil](/molmil-images/mine/7ygq) | Crystal structure of SARS main protease in complex with inhibitor YH-53 | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-07-12 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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7Y5N
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![BU of 7y5n by Molmil](/molmil-images/mine/7y5n) | Structure of 1:1 PAPP-A.ProMBP complex(half map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone marrow proteoglycan, ... | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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7Y5Q
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![BU of 7y5q by Molmil](/molmil-images/mine/7y5q) | Structure of 1:1 PAPP-A.STC2 complex(half map) | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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2XUE
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![BU of 2xue by Molmil](/molmil-images/mine/2xue) | CRYSTAL STRUCTURE OF JMJD3 | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | Authors: | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | Deposit date: | 2010-10-19 | Release date: | 2011-12-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
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7YIM
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![BU of 7yim by Molmil](/molmil-images/mine/7yim) | Cryo-EM structure of human Alpha-fetoprotein | Descriptor: | Alpha-fetoprotein | Authors: | Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W. | Deposit date: | 2022-07-17 | Release date: | 2023-01-18 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Uniform thin ice on ultraflat graphene for high-resolution cryo-EM. Nat.Methods, 20, 2023
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3TTP
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![BU of 3ttp by Molmil](/molmil-images/mine/3ttp) | Structure of multiresistant 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, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Saskova, K.G, Brynda, J, Kozisek, M, Konvalinka, J, Rezacova, P. | Deposit date: | 2011-09-15 | Release date: | 2012-09-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Thermodynamic and structural analysis of HIV protease resistance to darunavir - analysis of heavily mutated patient-derived HIV-1 proteases. Febs J., 281, 2014
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