4ASZ
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![BU of 4asz by Molmil](/molmil-images/mine/4asz) | Crystal structure of apo TrkB kinase domain | Descriptor: | BDNF/NT-3 GROWTH FACTORS RECEPTOR | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | Deposit date: | 2012-05-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition. J.Mol.Biol., 423, 2012
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4AT5
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![BU of 4at5 by Molmil](/molmil-images/mine/4at5) | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580 | Descriptor: | 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine, BDNF/NT-3 GROWTH FACTORS RECEPTOR, GLYCEROL | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | Deposit date: | 2012-05-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition. J.Mol.Biol., 423, 2012
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4AW1
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![BU of 4aw1 by Molmil](/molmil-images/mine/4aw1) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
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8CNX
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![BU of 8cnx by Molmil](/molmil-images/mine/8cnx) | Structure of Enterovirus D68 3C protease | Descriptor: | Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-02-24 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure of EV D68 3C protease To Be Published
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8CNY
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![BU of 8cny by Molmil](/molmil-images/mine/8cny) | Structure of Enterovirus A71 3C protease | Descriptor: | Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-02-24 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure of EV D68 3C protease - to be published To Be Published
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4AT4
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![BU of 4at4 by Molmil](/molmil-images/mine/4at4) | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429 | Descriptor: | 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | Deposit date: | 2012-05-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition. J.Mol.Biol., 423, 2012
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5AEK
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![BU of 5aek by Molmil](/molmil-images/mine/5aek) | Crystal structure of the human SENP2 C548S in complex with the human SUMO1 K48M F66W | Descriptor: | SENTRIN-SPECIFIC PROTEASE 2, SMALL UBIQUITIN-RELATED MODIFIER 1 | Authors: | Gallego, P, Grana-Montes, R, Espargaro, A, Castillo, V, Torrent, J, Lange, R, Papaleo, E, Lindorff-Larsend, K, Ventura, S, Reverter, D. | Deposit date: | 2014-12-23 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Stepping Back and Forward on Sumo Folding Evolution To be Published
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5JO3
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![BU of 5jo3 by Molmil](/molmil-images/mine/5jo3) | PDE5A for NaV1.7 | Descriptor: | 1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Storer, I, Chrencik, J. | Deposit date: | 2016-05-01 | Release date: | 2017-05-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | PDE5A for NaV1.7 To be published
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4KOP
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![BU of 4kop by Molmil](/molmil-images/mine/4kop) | Crystal Structure of WHY2 from Arabidopsis thaliana | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Single-stranded DNA-binding protein WHY2, mitochondrial | Authors: | Cappadocia, L, Parent, J.S, Brisson, N, Sygusch, J. | Deposit date: | 2013-05-12 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A family portrait: structural comparison of the Whirly proteins from Arabidopsis thaliana and Solanum tuberosum. Acta Crystallogr.,Sect.F, 69, 2013
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4A39
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![BU of 4a39 by Molmil](/molmil-images/mine/4a39) | Metallo-carboxypeptidase from Pseudomonas Aeruginosa in complex with (2-guanidinoethylmercapto)succinic acid | Descriptor: | (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID, METALLO-CARBOXYPEPTIDASE, ZINC ION | Authors: | Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D. | Deposit date: | 2011-09-30 | Release date: | 2012-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps. Faseb J., 26, 2012
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3BP2
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![BU of 3bp2 by Molmil](/molmil-images/mine/3bp2) | |
4A38
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![BU of 4a38 by Molmil](/molmil-images/mine/4a38) | METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AUREGINOSA IN COMPLEX WITH L-BENZYLSUCCINIC ACID | Descriptor: | L-BENZYLSUCCINIC ACID, METALLO-CARBOXYPEPTIDASE, ZINC ION | Authors: | Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D. | Deposit date: | 2011-09-30 | Release date: | 2012-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps. Faseb J., 26, 2012
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4A37
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![BU of 4a37 by Molmil](/molmil-images/mine/4a37) | Metallo-carboxypeptidase from Pseudomonas Aeruginosa | Descriptor: | METALLO-CARBOXYPEPTIDASE, ZINC ION | Authors: | Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D. | Deposit date: | 2011-09-30 | Release date: | 2012-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps. Faseb J., 26, 2012
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3RIE
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![BU of 3rie by Molmil](/molmil-images/mine/3rie) | The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | Authors: | Williams, M, Sprenger, J, Persson, L, Louw, A.I, Birkholtz, L, Al-Karadaghi, S. | Deposit date: | 2011-04-13 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail. Malar J, 14, 2015
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4KOQ
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![BU of 4koq by Molmil](/molmil-images/mine/4koq) | Crystal Structure of WHY3 from Arabidopsis thaliana | Descriptor: | PHOSPHATE ION, Single-stranded DNA-binding protein WHY3, chloroplastic | Authors: | Cappadocia, L, Parent, J.S, Brisson, N, Sygusch, J. | Deposit date: | 2013-05-12 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A family portrait: structural comparison of the Whirly proteins from Arabidopsis thaliana and Solanum tuberosum. Acta Crystallogr.,Sect.F, 69, 2013
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8POA
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![BU of 8poa by Molmil](/molmil-images/mine/8poa) | Structure of Coxsackievirus A16 (G-10) 2A protease | Descriptor: | GLYCEROL, Protease 2A, ZINC ION | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-07-04 | Release date: | 2023-08-02 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of EV A71 2A protease - to be published To Be Published
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2NT8
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![BU of 2nt8 by Molmil](/molmil-images/mine/2nt8) | ATP bound at the active site of a PduO type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cobalamin adenosyltransferase, GLYCEROL, ... | Authors: | St-Maurice, M, Mera, P.E, Taranto, M.P, Sesma, F, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2006-11-07 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural characterization of the active site of the PduO-type ATP:Co(I)rrinoid adenosyltransferase from Lactobacillus reuteri. J.Biol.Chem., 282, 2007
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4AW0
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![BU of 4aw0 by Molmil](/molmil-images/mine/4aw0) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
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3GAI
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![BU of 3gai by Molmil](/molmil-images/mine/3gai) | Structure of a F112A variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, COBALAMIN, ... | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2009-02-17 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme. Biochemistry, 48, 2009
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3CI3
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![BU of 3ci3 by Molmil](/molmil-images/mine/3ci3) | Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with partial adenosylcobalamin and PPPi | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... | Authors: | Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2008-03-10 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate. Biochemistry, 47, 2008
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2MZB
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![BU of 2mzb by Molmil](/molmil-images/mine/2mzb) | Solution structural studies of GTP:adenosylcobinamide-phosphate guanylyltransferase (CobY) from Methanocaldococcus jannaschii | Descriptor: | Adenosylcobinamide-phosphate guanylyltransferase | Authors: | Singarapu, K, Otte, M, Tonelli, M, Westler, W.M, Escalante-Semerena, J.C, Markley, J.L. | Deposit date: | 2015-02-11 | Release date: | 2015-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structural Studies of GTP:Adenosylcobinamide-Phosphateguanylyl Transferase (CobY) from Methanocaldococcus jannaschii. Plos One, 10, 2015
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2R6X
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![BU of 2r6x by Molmil](/molmil-images/mine/2r6x) | Structure of a D35N variant PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cobalamin adenosyltransferase PduO-like protein, MAGNESIUM ION | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2007-09-06 | Release date: | 2007-12-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural and functional analyses of the human-type corrinoid adenosyltransferase (PduO) from Lactobacillus reuteri. Biochemistry, 46, 2007
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2R6T
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![BU of 2r6t by Molmil](/molmil-images/mine/2r6t) | Structure of a R132K variant PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cobalamin adenosyltransferase PduO-like protein, MAGNESIUM ION | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2007-09-06 | Release date: | 2007-12-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural and functional analyses of the human-type corrinoid adenosyltransferase (PduO) from Lactobacillus reuteri. Biochemistry, 46, 2007
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1P2P
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![BU of 1p2p by Molmil](/molmil-images/mine/1p2p) | STRUCTURE OF PORCINE PANCREATIC PHOSPHOLIPASE A2 AT 2.6 ANGSTROMS RESOLUTION AND COMPARISON WITH BOVINE PHOSPHOLIPASE A2 | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Dijkstra, B.W, Renetseder, R, Kalk, K.H, Hol, W.G.J, Drenth, J. | Deposit date: | 1983-06-27 | Release date: | 1983-09-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of porcine pancreatic phospholipase A2 at 2.6 A resolution and comparison with bovine phospholipase A2. J.Mol.Biol., 168, 1983
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4LBD
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![BU of 4lbd by Molmil](/molmil-images/mine/4lbd) | LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961 | Descriptor: | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA | Authors: | Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 1998-02-04 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational adaptation of agonists to the human nuclear receptor RAR gamma. Nat.Struct.Biol., 5, 1998
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