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5MXV
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND GSK1107112A AT 1.63A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide
Authors:Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L.
Deposit date:2017-01-24
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.626 Å)
Cite:Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYL
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND GSK1570606A AT 1.72A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
Authors:Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L.
Deposit date:2017-01-27
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYN
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND GSK445886A AT 1.56A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Authors:Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L.
Deposit date:2017-01-27
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.564 Å)
Cite:Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYR
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND GSK735816A AT 1.83A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
Authors:Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L.
Deposit date:2017-01-27
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.828 Å)
Cite:Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYS
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND GSK920684A AT 1.59A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, 2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
Authors:Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L.
Deposit date:2017-01-27
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYT
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND GSK921295A AT 1.61A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
Authors:Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L.
Deposit date:2017-01-27
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYW
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND SB-435634 AT 1.77A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
Authors:Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L.
Deposit date:2017-01-30
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5IOY
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH N-(CYCLOPENTYLMETHYL)PYRROLIDINE-1-CARBOXAMIDE AT 1.77A RESOLUTION
Descriptor:TetR-family transcriptional regulatory repressor protein, N-(cyclopentylmethyl)pyrrolidine-1-carboxamide, SULFATE ION
Authors:Blaszczyk, M., Surade, S., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5IOZ
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH N-(CYCLOPENTYLMETHYL)CYCLOPENTANECARBOXAMIDE AT 2.02A RESOLUTION
Descriptor:TetR-family transcriptional regulatory repressor protein, N-(cyclopentylmethyl)cyclopentanecarboxamide
Authors:Blaszczyk, M., Surade, S., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5IP6
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH N-((TETRAHYDROFURAN-3-YL)METHYL)PYRROLIDINE-1-CARBOXAMIDE AT 1.93A RESOLUTION
Descriptor:TetR-family transcriptional regulatory repressor protein, N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide
Authors:Blaszczyk, M., Surade, S., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5IPA
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH (E)-3-(FURAN-3-YL)-1-(PYRROLIDIN-1-YL)PROP-2-EN-1-ONE AT 1.78A RESOLUTION
Descriptor:TetR-family transcriptional regulatory repressor protein, (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
Authors:Blaszczyk, M., Surade, S., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5J1R
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 3-(FURAN-3-YL)-1-(PYRROLIDIN-1-YL)PROPAN-1-ONE AT 1.92A RESOLUTION
Descriptor:EthR, 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
Authors:Blaszczyk, M., Surade, S., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2016-03-29
Release date:2017-03-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5J1U
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH N-(FURAN-3-YLMETHYL)PYRROLIDINE-1-CARBOXAMIDE AT 1.80A RESOLUTION
Descriptor:EthR, N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
Authors:Blaszczyk, M., Surade, S., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2016-03-29
Release date:2017-04-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5J1Y
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 1-(PYRROLIDIN-1-YL)-3-(TETRAHYDROFURAN-3-YL)PROPAN-1-ONE AT 1.81A RESOLUTION
Descriptor:EthR, 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
Authors:Blaszczyk, M., Surade, S., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2016-03-29
Release date:2017-04-05
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5J3L
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 1-((2-CYCLOPENTYLETHYL)SULFONYL)PYRROLIDINE AT 1.66A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine
Authors:Blaszczyk, M., Surade, S., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2016-03-31
Release date:2017-03-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5NZ0
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH LINEZOLID
Descriptor:HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide, 1,2-ETHANEDIOL
Authors:Blaszczyk, M., Mendes, V., Nikiforov, P.O., Blundell, T.L.
Deposit date:2017-05-12
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
5MYM
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND GSK2032710A AT 2.28A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone, 1,2-ETHANEDIOL
Authors:Mendes, V., Blaszczyk, M., Mugumbate, G., Blundell, T.L.
Deposit date:2017-01-27
Release date:2017-10-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5CGM
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STRUCTURE OF MYCOBACTERIUM THERMORESISTIBILE GLGE IN COMPLEX WITH MALTOSE AT 1.95A RESOLUTION
Descriptor:Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, MALTOSE, PHOSPHATE ION, ...
Authors:Mendes, V., Blaszczyk, M., Maranha, A., Empadinhas, N., Blundell, T.L.
Deposit date:2015-07-09
Release date:2015-12-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism.
Sci Rep, 5, 2015
5CIM
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STRUCTURE OF MYCOBACTERIUM THERMORESISTIBILE GLGE IN COMPLEX WITH MALTOSE (COCRYSTALLISATION WITH MALTOSE-1-PHOSPHATE) AT 3.32A RESOLUTION
Descriptor:Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, MALTOSE
Authors:Mendes, V., Blaszczyk, M., Maranha, A., Empadinhas, N., Blundell, T.L.
Deposit date:2015-07-13
Release date:2015-12-09
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism.
Sci Rep, 5, 2015
5CJ5
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STRUCTURE OF MYCOBACTERIUM THERMORESISTIBILE GLGE APO FORM AT 3.13A RESOLUTION
Descriptor:Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase
Authors:Mendes, V., Blaszczyk, M., Maranha, A., Empadinhas, N., Blundell, T.L.
Deposit date:2015-07-13
Release date:2015-12-09
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism.
Sci Rep, 5, 2015
5EIV
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CRYSTAL STRUCTURE OF COMPLEX OF OSTEOCLAST-ASSOCIATED IMMUNOGLOBULIN-LIKE RECEPTOR (OSCAR) AND A SYNTHETIC COLLAGEN CONSENSUS PEPTIDE
Descriptor:Osteoclast-associated immunoglobulin-like receptor, GLY-PRO-HYP-GLY-PRO-HYP-GLY-PRO-HYP-GLY-PRO-ALA-GLY-PHE-HYP-GLY-PRO-HYP-GLY-PRO-HYP, PRO-GLY-PRO-PRO-GLY-PRO-PRO, ...
Authors:Zhou, L., Blaszczyk, M., Chirgadze, D., Bihan, D., Farndale, R.W.
Deposit date:2015-10-30
Release date:2015-11-25
Last modified:2016-02-17
Method:X-RAY DIFFRACTION (2.414 Å)
Cite:Structural basis for collagen recognition by the immune receptor OSCAR.
Blood, 127, 2016
5EYR
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND 5 AT 1.57A RESOLUTION
Descriptor:EthR, 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
Authors:Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2015-11-25
Release date:2016-02-03
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5EZG
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND 22 AT 1.84A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide, SULFATE ION
Authors:Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2015-11-26
Release date:2016-02-03
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5EZH
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND 21 AT 1.7A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, ~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide, SULFATE ION
Authors:Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2015-11-26
Release date:2016-02-03
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F04
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STRUCTURE OF TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN - ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH COMPOUND 3 AT 1.84A RESOLUTION
Descriptor:HTH-type transcriptional regulator EthR, 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one, SULFATE ION, ...
Authors:Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.
Deposit date:2015-11-27
Release date:2016-02-03
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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