2X1D
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![BU of 2x1d by Molmil](/molmil-images/mine/2x1d) | The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, ACYL-COENZYME, ... | Authors: | Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W. | Deposit date: | 2009-12-23 | Release date: | 2010-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme. Structure, 18, 2010
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4NJ7
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![BU of 4nj7 by Molmil](/molmil-images/mine/4nj7) | PB1 Domain of AtARF7 - SeMet Derivative | Descriptor: | Auxin response factor 7 | Authors: | Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C. | Deposit date: | 2013-11-08 | Release date: | 2014-03-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression. Proc.Natl.Acad.Sci.USA, 111, 2014
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2WNT
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![BU of 2wnt by Molmil](/molmil-images/mine/2wnt) | Crystal Structure of the Human Ribosomal protein S6 kinase | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, RIBOSOMAL PROTEIN S6 KINASE, ... | Authors: | Muniz, J.R.C, Elkins, J.M, Wang, J, Ugochukwu, E, Salah, E, King, O, Picaud, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2009-07-20 | Release date: | 2009-08-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Human Ribosomal Protein S6 Kinase To be Published
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2X8S
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![BU of 2x8s by Molmil](/molmil-images/mine/2x8s) | Crystal Structure of the Abn2 D171A mutant in complex with arabinotriose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | deSanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | Deposit date: | 2010-03-11 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases. FEBS J., 277, 2010
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5K8X
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![BU of 5k8x by Molmil](/molmil-images/mine/5k8x) | Crystal structure of mouse CARM1 in complex with inhibitor U3 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-05-31 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor U3 To Be Published
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4NJ6
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![BU of 4nj6 by Molmil](/molmil-images/mine/4nj6) | PB1 Domain of AtARF7 | Descriptor: | Auxin response factor 7 | Authors: | Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C. | Deposit date: | 2013-11-08 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression. Proc.Natl.Acad.Sci.USA, 111, 2014
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2WO9
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![BU of 2wo9 by Molmil](/molmil-images/mine/2wo9) | MMP12 complex with a beta hydroxy carboxylic acid | Descriptor: | (3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | Deposit date: | 2009-07-22 | Release date: | 2009-09-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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2X8F
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![BU of 2x8f by Molmil](/molmil-images/mine/2x8f) | Native structure of Endo-1,5-alpha-L-arabinanases from Bacillus subtilis | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | de Sanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | Deposit date: | 2010-03-09 | Release date: | 2011-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases. FEBS J., 277, 2010
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4NDZ
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![BU of 4ndz by Molmil](/molmil-images/mine/4ndz) | Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Maltose-binding periplasmic protein, Heparan sulfate 2-O-sulfotransferase 1 fusion, ... | Authors: | Liu, C, Sheng, J, Krahn, J.M, Perera, L, Xu, Y, Hsieh, P, Liu, J, Pedersen, L.C. | Deposit date: | 2013-10-28 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Deciphering the role of 2-O-sulfotransferase in regulating heparan sulfate biosynthesis To be Published
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2WLO
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![BU of 2wlo by Molmil](/molmil-images/mine/2wlo) | POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM | Descriptor: | POTASSIUM CHANNEL, POTASSIUM ION | Authors: | Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M. | Deposit date: | 2009-06-24 | Release date: | 2010-06-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.036 Å) | Cite: | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels. Cell(Cambridge,Mass.), 141, 2010
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2WOA
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![BU of 2woa by Molmil](/molmil-images/mine/2woa) | MMP12 complex with a beta hydroxy carboxylic acid | Descriptor: | (3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | Deposit date: | 2009-07-22 | Release date: | 2009-09-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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2XIK
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![BU of 2xik by Molmil](/molmil-images/mine/2xik) | Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1) | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25 | Authors: | Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2010-06-30 | Release date: | 2010-07-14 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1) To be Published
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5K0A
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![BU of 5k0a by Molmil](/molmil-images/mine/5k0a) | Structure of an oxidoreductase from Synechocystis sp. PCC6803 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NITRATE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Buey, R.M, de Pereda, J.M, Balsera, M. | Deposit date: | 2016-05-17 | Release date: | 2017-11-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.706 Å) | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2XB8
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![BU of 2xb8 by Molmil](/molmil-images/mine/2xb8) | Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid | Descriptor: | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | Authors: | Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2010-04-08 | Release date: | 2010-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids. Chemmedchem, 5, 2010
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4LV6
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![BU of 4lv6 by Molmil](/molmil-images/mine/4lv6) | Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C | Descriptor: | 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide, CALCIUM ION, GTPase KRas, ... | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-07-26 | Release date: | 2013-11-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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2VAC
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![BU of 2vac by Molmil](/molmil-images/mine/2vac) | Structure of N-terminal Actin Depolymerizing Factor homology (ADF-H) domain of human twinfilin-2 | Descriptor: | 1,2-ETHANEDIOL, TWINFILIN-2, ZINC ION | Authors: | Elkins, J.M, Pike, A.C.W, King, O, Salah, E, Savitsky, P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Knapp, S. | Deposit date: | 2007-08-30 | Release date: | 2007-10-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of N-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin-2 To be Published
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4M1O
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![BU of 4m1o by Molmil](/molmil-images/mine/4m1o) | Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-03 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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2V3Y
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![BU of 2v3y by Molmil](/molmil-images/mine/2v3y) | |
2VHU
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![BU of 2vhu by Molmil](/molmil-images/mine/2vhu) | P4 PROTEIN FROM BACTERIOPHAGE PHI12 K241C mutant in complex with ADP and MgCl | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4 | Authors: | Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R. | Deposit date: | 2007-11-25 | Release date: | 2007-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor. J.Biol.Chem., 283, 2008
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4M1U
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![BU of 4m1u by Molmil](/molmil-images/mine/4m1u) | The crystal structure of Stx2 and a disaccharide ligand | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-methyl beta-D-galactopyranoside, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 A-subunit, ... | Authors: | Yin, J, James, M.N.G, Jacobson, J.M, Kitov, P.I, Bundle, D.R, Mulvey, G, Armstrong, G. | Deposit date: | 2013-08-04 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The crystal structure of shiga toxin type 2 with bound disaccharide guides the design of a heterobifunctional toxin inhibitor. J.Biol.Chem., 289, 2014
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5K8R
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![BU of 5k8r by Molmil](/molmil-images/mine/5k8r) | Structure of human clustered protocadherin gamma B3 EC1-4 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Nicoludis, J.M, Vogt, B.E, Gaudet, R. | Deposit date: | 2016-05-30 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antiparallel protocadherin homodimers use distinct affinity- and specificity-mediating regions in cadherin repeats 1-4. Elife, 5, 2016
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2VGA
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![BU of 2vga by Molmil](/molmil-images/mine/2vga) | The structure of Vaccinia virus A41 | Descriptor: | PROTEIN A41 | Authors: | Bahar, M.W, Kenyon, J.C, Putz, M.M, Abrescia, N.G.A, Pease, J.E, Wise, E.L, Stuart, D.I, Smith, G.L, Grimes, J.M. | Deposit date: | 2007-11-09 | Release date: | 2008-02-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Function of A41, a Vaccinia Virus Chemokine Binding Protein. Plos Pathog., 4, 2008
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2VHT
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![BU of 2vht by Molmil](/molmil-images/mine/2vht) | P4 PROTEIN FROM BACTERIOPHAGE PHI12 R279A mutant in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, NTPASE P4 | Authors: | Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R. | Deposit date: | 2007-11-25 | Release date: | 2007-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor. J.Biol.Chem., 283, 2008
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4MAF
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![BU of 4maf by Molmil](/molmil-images/mine/4maf) | Soybean ATP Sulfurylase | Descriptor: | ADENOSINE-5'-PHOSPHOSULFATE, ATP sulfurylase | Authors: | Herrmann, J, Ravilious, G.E, McKinney, S.E, Westfall, C.S, Lee, S.G, Krishnan, H.B, Jez, J.M. | Deposit date: | 2013-08-16 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure and mechanism of soybean ATP sulfurylase and the committed step in plant sulfur assimilation. J.Biol.Chem., 289, 2014
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2W5N
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![BU of 2w5n by Molmil](/molmil-images/mine/2w5n) | Native structure of the GH93 alpha-L-arabinofuranosidase of Fusarium graminearum | Descriptor: | 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, GLYCEROL, ... | Authors: | Carapito, R, Imberty, A, Jeltsch, J.M, Byrns, S.C, Tam, P.H, Lowary, T.L, Varrot, A, Phalip, V. | Deposit date: | 2008-12-11 | Release date: | 2009-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Basis of Arabinobio-Hydrolase Activity in Phytopathogenic Fungi. Crystal Structure and Catalytic Mechanism of Fusarium Graminearum Gh93 Exo-Alpha-L-Arabinanase. J.Biol.Chem., 284, 2009
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