Author results

4AJ1
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RAT LDHA IN COMPLEX WITH N-(2-(METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL) ACETAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, N-(2-METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL)ACETAMIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJ2
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RAT LDHA IN COMPLEX WITH 5-(2-CHLOROPHENYL)-1H-TETRAZOLE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Frazer, M.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJ4
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RAT LDHA IN COMPLEX WITH 4-((2-ALLYLSULFANYL-1,3-BENZOTHIZOL-6-YL) AMINO)-4-OXO-BUTANOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJE
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RAT LDHA IN COMPLEX WITH 2-(4-BROMOPHENOXY)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, MALONATE ION, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJH
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RAT LDHA IN COMPLEX WITH N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO- PROPANAMIDE AND 2-(4-BROMOPHENOXY)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Greenwood, R., Pearson, S., Debreczeni, J.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJI
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RAT LDHA IN COMPLEX WITH 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Debreczeni, J.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJJ
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RAT LDHA IN COMPLEX WITH 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID AND N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, MALONATE ION, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Patel, J., Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJK
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RAT LDHA IN COMPLEX WITH N-(2-(METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL) ACETAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, MALONATE ION, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJL
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RAT LDHA IN COMPLEX WITH 3-(ETHYLCARBAMOYLAMINO)-N-(2-METHYL-1,3- BENZOTHIAZOL-6-YL)PROPANAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Addie, M., Ferguson, A.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJN
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RAT LDHA IN COMPLEX WITH 2-((4-(2-((3-((2-METHYL-1,3-BENZOTHIAZOL-6- YL)AMINO)-3-OXO-PROPYL)CARBAMOYLAMINO)ETHYL)PHENYL)METHYL) PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Caputo, A., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJO
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RAT LDHA IN COMPLEX WITH 2-((4-(4-((3-((2-METHYL-1,3-BENZOTHIAZOL-6YL) AMINO)-3-OXO-PROPYL)AMINO)-4-OXO-BUTYL)PHENYL)METHYL)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Caputo, A., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AL4
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RAT LDHA IN COMPLEX WITH 2-((4-(2-((3-((2-METHYL-1,3-BENZOTHIAZOL-6- YL)AMINO)3-OXO-PROPYL)CARBAMOYLAMINO)ETHOXY)PHENYL)METHYLPROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
Authors:Tucker, J.A., Brassington, C., Hassall, G., Ward, R., Tart, J., Davies, G., Hohson, M., Pearson, S.
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4D4J
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HUMAN PFKFB3 IN COMPLEX WITH A PYRROLOPYRIMIDONE COMPOUND
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHATE ION, PHOSPHONIC ACID, ...
Authors:Stgallay, S.A., Bennett, N., Critchlow, S., Davies, G., Debreczeni, J.E., Evans, N., Holdgate, G., Jones, N.P., Leach, L., Maman, S., McLoughlin, S., Preston, M., Rigoreau, L., Thomas, A., Walker, G., Walsch, J., Ward, R.A., Wheatley, E., Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4K
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HUMAN PFKFB3 IN COMPLEX WITH A PYRROLOPYRIMIDONE COMPOUND
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Stgallay, S.A., Bennett, N., Critchlow, S., Davies, G., Debreczeni, J.E., Evans, N., Holdgate, G., Jones, N.P., Leach, L., Maman, S., McLoughlin, S., Preston, M., Rigoreau, L., Thomas, A., Walker, G., Walsch, J., Ward, R.A., Wheatley, E., Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4L
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HUMAN PFKFB3 IN COMPLEX WITH A PYRROLOPYRIMIDONE COMPOUND
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Stgallay, S.A., Bennett, N., Critchlow, S., Davies, G., Debreczeni, J.E., Evans, N., Holdgate, G., Jones, N.P., Leach, L., Maman, S., McLoughlin, S., Preston, M., Rigoreau, L., Thomas, A., Walker, G., Walsch, J., Ward, R.A., Wheatley, E., Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4M
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HUMAN PFKFB3 IN COMPLEX WITH A PYRROLOPYRIMIDONE COMPOUND
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHATE ION, PHOSPHONIC ACID, ...
Authors:Stgallay, S.A., Bennett, N., Critchlow, S., Davies, G., Debreczeni, J.E., Evans, N., Holdgate, G., Jones, N.P., Leach, L., Maman, S., McLoughlin, S., Preston, M., Rigoreau, L., Thomas, A., Walker, G., Walsch, J., Ward, R.A., Wheatley, E., Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
1UYW
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CRYSTAL STRUCTURE OF THE ANTIFLAVIVIRUS FAB4G2
Descriptor:FAB ANTIBODY HEAVY CHAIN, FAB ANTIBODY LIGHT CHAIN
Authors:Martinez-Fleites, C., Ortiz-Lombardia, M., Taylor, E.J., Gil-Valdes, J., Chinea, G., Davies, G.
Deposit date:2004-03-03
Release date:2005-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Antiflavivirus Fab4G2
To be Published
4AJP
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HUMAN LDHA IN COMPLEX WITH 2-((4-(4-((3-((2-METHYL-1,3-BENZOTHIAZOL- 6YL)AMINO)-3-OXO-PROPYL)AMINO)-4-OXO-BUTYL)PHENYL)METHYL)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, SULFATE ION, ...
Authors:Tucker, J.A., Brassington, C., Caputo, A., Ward, R., Pearson, S., Watson, M., Tart, J., Davies, G.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2014-09-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
1NAE
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STRUCTURE OF CSCBM6-3 FROM CLOSTRIDIUM STERCORARIUM IN COMPLEX WITH XYLOTRIOSE
Descriptor:putative xylanase, BETA-D-XYLOPYRANOSE, CALCIUM ION
Authors:Boraston, A.B., Notenboom, V., Warren, R.A.J., Kilburn, D.G., Rose, D.R., Davies, G.
Deposit date:2002-11-27
Release date:2003-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and ligand binding of carbohydrate-binding module CsCBM6-3 reveals similarities with fucose-specific lectins and "galactose-binding" domains
J.Mol.Biol., 327, 2003
2YIH
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STRUCTURE OF A PAENIBACILLUS POLYMYXA XYLOGLUCANASE FROM GH FAMILY 44 WITH XYLOGLUCAN
Descriptor:CEL44C, CALCIUM ION, CHLORIDE ION, ...
Authors:Ariza, A., Eklof, J.M., Spadiut, O., Offen, W.A., Roberts, S.M., Besenmatter, W., Friis, E.P., Skjot, M., Wilson, K.S., Brumer, H., Davies, G.
Deposit date:2011-05-13
Release date:2011-06-08
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
2YJQ
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STRUCTURE OF A PAENIBACILLUS POLYMYXA XYLOGLUCANASE FROM GLYCOSIDE HYDROLASE FAMILY 44
Descriptor:CEL44C, TETRAHYDROOXAZINE, BETA-D-GLUCOSE, ...
Authors:Ariza, A., Eklof, J.M., Spadiut, O., Offen, W.A., Roberts, S.M., Besenmatter, W., Friis, E.P., Skjot, M., Wilson, K.S., Brumer, H., Davies, G.
Deposit date:2011-05-23
Release date:2011-06-15
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
2YKK
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STRUCTURE OF A PAENIBACILLUS POLYMYXA XYLOGLUCANASE FROM GLYCOSIDE HYDROLASE FAMILY 44
Descriptor:CEL44C, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Ariza, A., Eklof, J.M., Spadiut, O., Offen, W.A., Roberts, S.M., Besenmatter, W., Friis, E.P., Skjot, M., Wilson, K.S., Brumer, H., Davies, G.
Deposit date:2011-05-27
Release date:2011-06-22
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
3ZQ9
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STRUCTURE OF A PAENIBACILLUS POLYMYXA XYLOGLUCANASE FROM GLYCOSIDE HYDROLASE FAMILY 44
Descriptor:XYLOGLUCANASE, (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, BETA-D-GLUCOSE, ...
Authors:Ariza, A., Eklof, J.M., Spadiut, O., Offen, W.A., Roberts, S.M., Besenmatter, W., Friis, E.P., Skjot, M., Wilson, K.S., Brumer, H., Davies, G.
Deposit date:2011-06-08
Release date:2011-06-22
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
5A46
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FGFR1 IN COMPLEX WITH DOVITINIB
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ISOFORM CRA_B, ...
Authors:Klein, T., Vajpai, N., Phillips, J.J., Davies, G., Holdgate, G.A., Phillips, C., Tucker, J.A., Norman, R.A., Scott, A.S., Higazi, D.R., Lowe, D., Thompson, G.S., Breeze, A.L.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
5A4C
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FGFR1 LIGAND COMPLEX
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ISOFORM CRA_B, ...
Authors:Klein, T., Vajpai, N., Phillips, J.J., Davies, G., Holdgate, G.A., Phillips, C., Tucker, J.A., Norman, R.A., Scott, A.S., Higazi, D.R., Lowe, D., Thompson, G.S., Breeze, A.L.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
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