2KOD
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![BU of 2kod by Molmil](/molmil-images/mine/2kod) | A high-resolution NMR structure of the dimeric C-terminal domain of HIV-1 CA | Descriptor: | HIV-1 CA C-terminal domain | Authors: | Byeon, I.-J.L, Jung, J, Ahn, J, concel, J, Gronenborn, A.M. | Deposit date: | 2009-09-18 | Release date: | 2009-11-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural convergence between Cryo-EM and NMR reveals intersubunit interactions critical for HIV-1 capsid function. Cell(Cambridge,Mass.), 139, 2009
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7CL0
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![BU of 7cl0 by Molmil](/molmil-images/mine/7cl0) | Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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7CL1
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![BU of 7cl1 by Molmil](/molmil-images/mine/7cl1) | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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6BWE
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![BU of 6bwe by Molmil](/molmil-images/mine/6bwe) | Sortase A from Corynebacterium diphtheriae, lid mutant | Descriptor: | Putative fimbrial associated sortase-like protein | Authors: | Osipiuk, J, Chang, C, Huang, I.H, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-12-14 | Release date: | 2017-12-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In vitro reconstitution of sortase-catalyzed pilus polymerization reveals structural elements involved in pilin cross-linking. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6MO0
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![BU of 6mo0 by Molmil](/molmil-images/mine/6mo0) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | Descriptor: | 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | Authors: | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | Deposit date: | 2018-10-03 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J. Am. Chem. Soc., 141, 2019
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6TER
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![BU of 6ter by Molmil](/molmil-images/mine/6ter) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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1CYF
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![BU of 1cyf by Molmil](/molmil-images/mine/1cyf) | |
8JB4
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![BU of 8jb4 by Molmil](/molmil-images/mine/8jb4) | lipopolysaccharide-binding domain-LBDB | Descriptor: | Antilipopolysaccharide factor D | Authors: | Huang, J, Qin, Z. | Deposit date: | 2023-05-08 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Machine learning and genetic algorithm-guided directed evolution for the development of small-molecule antibiotics originating from antimicrobial peptides To Be Published
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2AJI
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![BU of 2aji by Molmil](/molmil-images/mine/2aji) | Crystal structure of the editing domain of E. coli leucyl-tRNA synthetase complexes with isoleucine | Descriptor: | ISOLEUCINE, Leucyl-tRNA synthetase | Authors: | Liu, Y, Liao, J, Zhu, B, Wang, E.D, Ding, J. | Deposit date: | 2005-08-02 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of the editing domain of Escherichia coli leucyl-tRNA synthetase and its complexes with Met and Ile reveal a lock-and-key mechanism for amino acid discrimination Biochem.J., 394, 2006
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6RXU
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![BU of 6rxu by Molmil](/molmil-images/mine/6rxu) | Cryo-EM structure of the 90S pre-ribosome (Kre33-Noc4) from Chaetomium thermophilum, state B1 | Descriptor: | 35S rRNA, 40S ribosomal protein S1, 40S ribosomal protein S11-like protein, ... | Authors: | Cheng, J, Kellner, N, Griesel, S, Berninghausen, O, Beckmann, R, Hurt, E. | Deposit date: | 2019-06-10 | Release date: | 2019-08-14 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Thermophile 90S Pre-ribosome Structures Reveal the Reverse Order of Co-transcriptional 18S rRNA Subdomain Integration. Mol.Cell, 75, 2019
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2AK4
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![BU of 2ak4 by Molmil](/molmil-images/mine/2ak4) | Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide | Descriptor: | Beta-2-microglobulin, EBV peptide LPEPLPQGQLTAY, HLA-B35 variant, ... | Authors: | Tynan, F.E, Burrows, S.R, Buckle, A.M, Clements, C.S, Borg, N.A, Miles, J.J, Beddoe, T, Whisstock, J.C, Wilce, M.C, Silins, S.L, Burrows, J.M, Kjer-Nielsen, L, Konstenko, L, Purcell, A.W, McCluskey, J, Rossjohn, J. | Deposit date: | 2005-08-03 | Release date: | 2005-10-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I-bound peptide Nat.Immunol., 6, 2005
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6NDP
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![BU of 6ndp by Molmil](/molmil-images/mine/6ndp) | Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant L193Q from Xanthomonas campestris | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome | Authors: | Otero, L.H, Sirigu, S, Klinke, S, Rinaldi, J, Conforte, V, Malamud, F, Goldbaum, F.A, Chavas, L, Bonomi, H.R. | Deposit date: | 2018-12-14 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.89 Å) | Cite: | Pr-favoured variants of the bacteriophytochrome from the plant pathogen Xanthomonas campestris hint on light regulation of virulence-associated mechanisms. Febs J., 288, 2021
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6NEC
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![BU of 6nec by Molmil](/molmil-images/mine/6nec) | STRUCTURE OF RET PROTEIN TYROSINE KINASE DOMAIN IN COMPLEX WITH NINTEDANIB | Descriptor: | FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | Authors: | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | Deposit date: | 2018-12-17 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib. J.Biol.Chem., 294, 2019
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4LWE
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![BU of 4lwe by Molmil](/molmil-images/mine/4lwe) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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6RGW
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![BU of 6rgw by Molmil](/molmil-images/mine/6rgw) | Photorhabdus asymbiotica lectin PHL in complex with O-methylated PGL-1-derived disaccharide | Descriptor: | 1,2-ETHANEDIOL, 3,6-O-dimethyl-D-glucose, 4-(2-azanylethoxy)phenol, ... | Authors: | Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. | Deposit date: | 2019-04-17 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system. Febs J., 288, 2021
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2AX1
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![BU of 2ax1 by Molmil](/molmil-images/mine/2ax1) | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5ee) | Descriptor: | 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | Authors: | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | Deposit date: | 2005-09-02 | Release date: | 2006-01-24 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase. J.Med.Chem., 49, 2006
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6AND
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![BU of 6and by Molmil](/molmil-images/mine/6and) | Pinatuzumab Fab in complex with anti-Kappa VHH domain | Descriptor: | Anti-kappa VHH domain, GLYCEROL, Pinatuzumab Fab Heavy chain, ... | Authors: | Ereno-Orbea, J, Sicard, T, Julien, J.-P. | Deposit date: | 2017-08-12 | Release date: | 2018-01-31 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments. J. Mol. Biol., 430, 2018
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2AHS
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![BU of 2ahs by Molmil](/molmil-images/mine/2ahs) | Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta, ... | Authors: | Ugochukwu, E, Eswaran, J, Barr, A, Gileadi, O, Sobott, F, Burgess, N, Ball, L, Bray, J, von Delft, F, Debreczeni, J, Bunkoczi, G, Turnbull, A, Das, S, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-07-28 | Release date: | 2005-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome. Cell(Cambridge,Mass.), 136, 2009
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6TLO
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![BU of 6tlo by Molmil](/molmil-images/mine/6tlo) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6-TRIBROMOBENZOTRIAZOLE | Descriptor: | 5,6,7-tris(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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8J6I
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![BU of 8j6i by Molmil](/molmil-images/mine/8j6i) | Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound MK-6892 | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X. | Deposit date: | 2023-04-26 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2. Cell Rep, 42, 2023
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4LWI
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![BU of 4lwi by Molmil](/molmil-images/mine/4lwi) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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6TLV
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![BU of 6tlv by Molmil](/molmil-images/mine/6tlv) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5-BROMOBENZOTRIAZOLE | Descriptor: | 6-bromanyl-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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1RT3
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![BU of 1rt3 by Molmil](/molmil-images/mine/1rt3) | AZT DRUG RESISTANT HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 1051U91 | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-06-29 | Release date: | 1999-02-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 3'-Azido-3'-deoxythymidine drug resistance mutations in HIV-1 reverse transcriptase can induce long range conformational changes. Proc.Natl.Acad.Sci.USA, 95, 1998
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8J6L
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![BU of 8j6l by Molmil](/molmil-images/mine/8j6l) | Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound niacin | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Yuan, Q, Zhu, S, Duan, J, Xu, H.E, Duan, X. | Deposit date: | 2023-04-26 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2. Cell Rep, 42, 2023
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6NJA
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![BU of 6nja by Molmil](/molmil-images/mine/6nja) | Structure of WT RET protein tyrosine kinase domain at 1.92A resolution. | Descriptor: | ADENINE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | Authors: | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | Deposit date: | 2019-01-02 | Release date: | 2019-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib. J.Biol.Chem., 294, 2019
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