4B4O
| Crystal Structure of human epimerase family protein SDR39U1 (isoform2) with NADPH | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, EPIMERASE FAMILY PROTEIN SDR39U1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vollmar, M, Muniz, J.R.C, Shafqat, N, Picaud, S, Krojer, T, Chaikuad, A, Pike, A.C.W, Yue, W.W, Filippakopoulos, P, Kavanagh, K.L, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2012-07-31 | Release date: | 2012-08-29 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human Epimerase Family Protein Sdr39U1 (Isoform2) with Nadph To be Published
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4AW2
| Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) | Descriptor: | 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA | Authors: | Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cdc42 Binding Protein Kinase Alpha (Mrck Alpha) To be Published
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4BBQ
| Crystal structure of the CXXC and PHD domain of Human Lysine-specific Demethylase 2A (KDM2A)(FBXL11) | Descriptor: | 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 2A, ZINC ION | Authors: | Allerston, C.K, Watson, A.A, Edlich, C, Li, B, Chen, Y, Ball, L, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Laue, E.D, Gileadi, O. | Deposit date: | 2012-09-27 | Release date: | 2012-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal Structure of the Cxxc and Phd Domain of Human Lysine-Specific Demethylase 2A (Kdm2A)(Fbxl11) To be Published
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5J1W
| Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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4BKJ
| Crystal structure of the human DDR1 kinase domain in complex with imatinib | Descriptor: | 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-04-25 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors J.Mol.Biol., 426, 2014
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4ASI
| Crystal structure of human ACACA C-terminal domain | Descriptor: | ACETYL-COA CARBOXYLASE 1 | Authors: | Froese, D.S, Muniz, J.R.C, Kiyani, W, Krojer, T, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, Yue, W.W. | Deposit date: | 2012-05-01 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Acaca C-Terminal Domain To be Published
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4ASC
| Crystal structure of the Kelch domain of human KBTBD5 | Descriptor: | 1,2-ETHANEDIOL, KELCH REPEAT AND BTB DOMAIN-CONTAINING PROTEIN 5 | Authors: | Canning, P, Ayinampudi, V, Krojer, T, Strain-Damerell, C, Raynor, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-30 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases. J.Biol.Chem., 288, 2013
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4AVM
| Crystal structure of the N-BAR domain of human bridging integrator 2. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BRIDGING INTEGRATOR 2 | Authors: | Allerston, C.K, Krojer, T, Cooper, C.D.O, Vollmar, M, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | Deposit date: | 2012-05-28 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal Structure of the N-Bar Domain of Human Bridging Integrator 2. To be Published
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4AVX
| Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) bound to an IP2 compound at 1.68 A Resolution | Descriptor: | 1,2-ETHANEDIOL, HEPATOCYTE GROWTH FACTOR-REGULATED TYROSINE KINASE SUBSTRATE, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, ... | Authors: | Williams, E, Canning, P, Shrestha, L, Krojer, T, Vollmar, M, Slowey, A, Conway, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A. | Deposit date: | 2012-05-30 | Release date: | 2012-06-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal Structure of the Tandem Vhs and Fyve Domains of Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) Bound to an Ip2 Compound at 1.68 A Resolution To be Published
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4B8W
| Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, tetragonal crystal form | Descriptor: | GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Pike, A, Chaikuat, A, Carpenter, E, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2012-08-31 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Tetragonal Crystal Form To be Published
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2AW5
| Crystal structure of a human malic enzyme | Descriptor: | NADP-dependent malic enzyme | Authors: | Papagrigoriou, E, Berridge, G, Smee, C, Bray, J, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Gileadi, O, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-31 | Release date: | 2005-09-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a human malic enzyme To be published
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4BL5
| Crystal structure of human GDP-L-fucose synthase with bound NADP and product GDP-L-fucose | Descriptor: | 1,2-ETHANEDIOL, GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, ... | Authors: | Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W. | Deposit date: | 2013-05-01 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Product Gdp-L-Fucose To be Published
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4AYT
| STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10 MITOCHONDRIAL, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | Deposit date: | 2012-06-22 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States Proc.Natl.Acad.Sci.USA, 110, 2013
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4AYX
| STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (ROD FORM B) | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | Deposit date: | 2012-06-22 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States Proc.Natl.Acad.Sci.USA, 110, 2013
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5J1V
| Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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4B8Z
| Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, rhombohedral crystal form | Descriptor: | GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2012-08-31 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Rhombohedral Crystal Form To be Published
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4BGJ
| Crystal structure of the phox-homology domain of human sorting nexin 14 | Descriptor: | SORTING NEXIN-14 | Authors: | Vollmar, M, Kiyani, W, Shrestha, L, Goubin, S, Krojer, T, Pike, A.C.W, Carpenter, E, Quigley, A, McKenzie, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Yue, W.W. | Deposit date: | 2013-03-27 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of the Phox-Homology Domain of Human Sorting Nexin 14 To be Published
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4BC6
| Crystal structure of human serine threonine kinase-10 bound to novel Bosutinib Isoform 1, previously thought to be Bosutinib | Descriptor: | 1,2-ETHANEDIOL, 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Vollmar, M, Szklarz, M, Chaikuad, A, Elkins, J, Savitsky, P, Azeez, K.A, Salah, E, Krojer, T, Canning, P, Muniz, J.R.C, Bountra, C, Arrowsmith, C.H, von Delft, F, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2012-10-01 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Human Serine Threonine Kinase- 10 Bound to Novel Bosutinib Isoform 1, Previously Thought to be Bosutinib To be Published
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4BKP
| Crystal structure of human GDP-L-fucose synthase with bound NADP | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, GDP-L-FUCOSE SYNTHASE, ... | Authors: | Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W. | Deposit date: | 2013-04-29 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp To be Published
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4B4C
| Crystal structure of the DNA-binding domain of human CHD1. | Descriptor: | 1,2-ETHANEDIOL, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, GLYCEROL, ... | Authors: | Allerston, C.K, Cooper, C.D.O, Shrestha, L, Vollmar, M, Burgess-Brown, N, Yue, W.W, Carpenter, E.P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | Deposit date: | 2012-07-30 | Release date: | 2012-08-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal Structure of the DNA-Binding Domain of Human Chd1. To be Published
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2ATV
| The crystal structure of human RERG in the GDP bound state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-like estrogen-regulated growth inhibitor | Authors: | Turnbull, A.P, Salah, E, Schoch, G, Elkins, J, Burgess, N, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-26 | Release date: | 2005-10-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human RERG in the GDP bound state To be Published
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2B05
| Crystal Structure of 14-3-3 gamma in complex with a phosphoserine peptide | Descriptor: | 14-3-3 protein gamma, peptide | Authors: | Papagrigoriou, E, Elkins, J, Arrowsmith, C, Zhao, Y, Debreczeni, E.J, Edwards, A, Weigelt, J, Doyle, D, von Delft, F, Turnbull, A, Yang, X. | Deposit date: | 2005-09-13 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of 14-3-3 gamma in complex with a phosphoserine peptide TO BE PUBLISHED
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4BQM
| Crystal structure of human liver-type glutaminase, catalytic domain | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTAMINASE LIVER ISOFORM, ... | Authors: | Ferreira, I.M, Vollmar, M, Krojer, T, Strain-Damerell, C, Froese, S, Coutandin, D, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Dias, S.M.G, Ambrosio, A.L.B, Yue, W.W. | Deposit date: | 2013-05-31 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal Structure of Human Liver-Type Glutaminase, Catalytic Domain To be Published
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4BZY
| Crystal structure of human glycogen branching enzyme (GBE1) | Descriptor: | 1,4-ALPHA-GLUCAN-BRANCHING ENZYME | Authors: | Froese, D.S, Krojer, T, Goubin, S, Strain-Damerell, C, Mahajan, P, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W. | Deposit date: | 2013-07-30 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis of Glycogen Branching Enzyme Deficiency and Pharmacologic Rescue by Rational Peptide Design. Hum.Mol.Genet., 24, 2015
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2B69
| Crystal Structure of Human UDP-glucoronic acid decarboxylase | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucuronate decarboxylase 1, URIDINE-5'-DIPHOSPHATE | Authors: | Ugochukwu, E, Dubinina, E, Kavanagh, K, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-09-30 | Release date: | 2005-10-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Crystal Structure of Human UDP-glucoronic acid decarboxylase To be Published
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