1LQB
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![BU of 1lqb by Molmil](/molmil-images/mine/1lqb) | Crystal structure of a hydroxylated HIF-1 alpha peptide bound to the pVHL/elongin-C/elongin-B complex | Descriptor: | Elongin B, Elongin C, Hypoxia-inducible factor 1 ALPHA, ... | Authors: | Hon, W.C, Wilson, M.I, Harlos, K, Claridge, T.D, Schofield, C.J, Pugh, C.W, Maxwell, P.H, Ratcliffe, P.J, Stuart, D.I, Jones, E.Y. | Deposit date: | 2002-05-09 | Release date: | 2002-07-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the recognition of hydroxyproline in HIF-1 alpha by pVHL. Nature, 417, 2002
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5J5O
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![BU of 5j5o by Molmil](/molmil-images/mine/5j5o) | Translation initiation factor 4E in complex with m7GppppG mRNA 5' cap analog | Descriptor: | 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine, Eukaryotic translation initiation factor 4E, GLYCEROL | Authors: | Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-04-03 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.867 Å) | Cite: | mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation. Nucleic Acids Res., 45, 2017
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1QGF
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![BU of 1qgf by Molmil](/molmil-images/mine/1qgf) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wilmouth, R.C, Kassamally, S, Westwood, N.J, Sheppard, R.J, Claridge, T.D.W, Wright, P.A, Pritchard, G.J, Schofield, C.J. | Deposit date: | 1999-04-27 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanistic insights into the inhibition of serine proteases by monocyclic lactams. Biochemistry, 38, 1999
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5OX6
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![BU of 5ox6 by Molmil](/molmil-images/mine/5ox6) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Chowdhury, R, Zhang, D, Schofield, C.J. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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5OX5
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![BU of 5ox5 by Molmil](/molmil-images/mine/5ox5) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | Descriptor: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | Authors: | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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4TYT
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![BU of 4tyt by Molmil](/molmil-images/mine/4tyt) | Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ... | Authors: | Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-07-09 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
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3MS5
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![BU of 3ms5 by Molmil](/molmil-images/mine/3ms5) | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | Descriptor: | 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ... | Authors: | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-29 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase. Chem. Biol., 17, 2010
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3O2G
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![BU of 3o2g by Molmil](/molmil-images/mine/3o2g) | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | Descriptor: | 1,2-ETHANEDIOL, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Gamma-butyrobetaine dioxygenase, ... | Authors: | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-22 | Release date: | 2010-09-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase. Chem. Biol., 17, 2010
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2VZK
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![BU of 2vzk by Molmil](/molmil-images/mine/2vzk) | Structure of the acyl-enzyme complex of an N-terminal nucleophile (Ntn) hydrolase, OAT2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, ... | Authors: | Iqbal, A, Clifton, I.J, Schofield, C.J. | Deposit date: | 2008-08-01 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Anatomy of a Simple Acyl Intermediate in Enzyme Catalysis: Combined Biophysical and Modeling Studies on Ornithine Acetyl Transferase. J.Am.Chem.Soc., 131, 2009
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5J5Y
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![BU of 5j5y by Molmil](/molmil-images/mine/5j5y) | Translation initiation factor 4E in complex with m2(7,2'O)GppCCl2ppG mRNA 5' cap analog | Descriptor: | 2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate, Eukaryotic translation initiation factor 4E, GLYCEROL | Authors: | Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-04-04 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation. Nucleic Acids Res., 45, 2017
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4PVO
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![BU of 4pvo by Molmil](/molmil-images/mine/4pvo) | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ... | Authors: | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-03-18 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
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4PVT
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![BU of 4pvt by Molmil](/molmil-images/mine/4pvt) | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | Authors: | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-03-18 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
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2YBK
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![BU of 2ybk by Molmil](/molmil-images/mine/2ybk) | JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE | Descriptor: | (2R)-2-hydroxypentanedioic acid, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-03-08 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases. EMBO Rep., 12, 2011
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2YC0
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![BU of 2yc0 by Molmil](/molmil-images/mine/2yc0) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH R-2-HYDROXYGLUTARATE | Descriptor: | (2R)-2-hydroxypentanedioic acid, FE (II) ION, GLYCEROL, ... | Authors: | Chowdhury, R, Clifton, I.J, Schofield, C.J. | Deposit date: | 2011-03-10 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases. EMBO Rep., 12, 2011
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2YDE
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![BU of 2yde by Molmil](/molmil-images/mine/2yde) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH S-2-HYDROXYGLUTARATE | Descriptor: | (2S)-2-HYDROXYPENTANEDIOIC ACID, FE (III) ION, GLYCEROL, ... | Authors: | Chowdhury, R, Clifton, I.J, Schofield, C.J. | Deposit date: | 2011-03-18 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases. EMBO Rep., 12, 2011
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2XUM
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![BU of 2xum by Molmil](/molmil-images/mine/2xum) | FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN(II), NOG AND ASP-SUBSTRATE PEPTIDE (20-MER) | Descriptor: | ASP-SUBSTRATE PEPTIDE 2, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2010-10-19 | Release date: | 2010-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Asparagine and aspartate hydroxylation of the cytoskeletal ankyrin family is catalyzed by factor-inhibiting hypoxia-inducible factor. J. Biol. Chem., 286, 2011
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2YBP
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![BU of 2ybp by Molmil](/molmil-images/mine/2ybp) | JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41) | Descriptor: | (2R)-2-hydroxypentanedioic acid, GLYCEROL, HISTONE H3.1T, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-03-09 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases. EMBO Rep., 12, 2011
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2YBS
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![BU of 2ybs by Molmil](/molmil-images/mine/2ybs) | |
2Y0I
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![BU of 2y0i by Molmil](/molmil-images/mine/2y0i) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER) | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2010-12-02 | Release date: | 2011-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Factor-inhibiting hypoxia-inducible factor (FIH) catalyses the post-translational hydroxylation of histidinyl residues within ankyrin repeat domains. FEBS J., 278, 2011
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6YVT
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![BU of 6yvt by Molmil](/molmil-images/mine/6yvt) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253 | Descriptor: | 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ... | Authors: | Chowdhury, R, Demetriades, M, Schofield, C.J. | Deposit date: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.847 Å) | Cite: | Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors. Angew.Chem.Int.Ed.Engl., 51, 2012
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4KQQ
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![BU of 4kqq by Molmil](/molmil-images/mine/4kqq) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4KQO
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![BU of 4kqo by Molmil](/molmil-images/mine/4kqo) | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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5LS3
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![BU of 5ls3 by Molmil](/molmil-images/mine/5ls3) | |
4KQR
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![BU of 4kqr by Molmil](/molmil-images/mine/4kqr) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4CWD
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![BU of 4cwd by Molmil](/molmil-images/mine/4cwd) | CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE IN COMPLEX WITH 449, A NOVEL SUBSTRATE | Descriptor: | 4-carboxy-1,1-dimethylpiperidin-1-ium, DI(HYDROXYETHYL)ETHER, GAMMA-BUTYROBETAINE DIOXYGENASE, ... | Authors: | McDonough, M.A, Kochan, G, Rydzik, A, Schofield, C.J. | Deposit date: | 2014-04-02 | Release date: | 2014-09-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Oxygenase-catalyzed desymmetrization of N,N-dialkyl-piperidine-4-carboxylic acids. Angew. Chem. Int. Ed. Engl., 53, 2014
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