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5ODD
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BU of 5odd by Molmil
HUMAN MED26 N-TERMINAL DOMAIN (1-92)
Descriptor: Mediator of RNA polymerase II transcription subunit 26
Authors:Lens, Z, Cantrelle, F.-X, Perruzini, R, Dewitte, F, Hanoulle, X, Villeret, V, Verger, A, Landrieu, I.
Deposit date:2017-07-05
Release date:2017-11-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:1H, 15N and 13C assignments of the N-terminal domain of the Mediator complex subunit MED26.
Biomol.Nmr Assign., 10, 2016
3Q3S
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BU of 3q3s by Molmil
EthR from Mycobacterium tuberculosis in complex with compound BDM5683
Descriptor: 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide, HTH-type transcriptional regulator EthR
Authors:Lens, Z, Willand, N, Villeret, V.
Deposit date:2010-12-22
Release date:2012-01-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:EthR from Mycobacterium tuberculosis in complex with compound BDM5683
To be Published
4DW6
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BU of 4dw6 by Molmil
Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.
Descriptor: AMMONIUM ION, GLYCEROL, HTH-type transcriptional regulator EthR, ...
Authors:Flipo, M, Willand, N, Lecat-Guillet, N, Hounsou, C, Desroses, M, Leroux, F, Lens, Z, Villeret, V, Wohlkonig, A, Wintjens, R, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, Baulard, A.R, Deprez, B.
Deposit date:2012-02-24
Release date:2013-03-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.
J.Med.Chem., 55, 2012
4FPP
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BU of 4fpp by Molmil
Bacterial phosphotransferase
Descriptor: GLYCEROL, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Fioravanti, A, Clantin, B, Dewitte, F, Lens, Z, Verger, A, Biondi, E, Villeret, V.
Deposit date:2012-06-22
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into ChpT, an essential dimeric histidine phosphotransferase regulating the cell cycle in Caulobacter crescentus.
Acta Crystallogr.,Sect.F, 68, 2012
3O8G
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BU of 3o8g by Molmil
EthR from Mycobacterium tuberculosis in complex with compound BDM14801
Descriptor: 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR
Authors:Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B.
Deposit date:2010-08-03
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator.
Acs Chem.Biol., 5, 2010
3O8H
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BU of 3o8h by Molmil
EthR from Mycobacterium tuberculosis in complex with compound BDM14950
Descriptor: 4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide, Transcriptional Regulatory Repressor protein (TETR-Family) EthR
Authors:Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B.
Deposit date:2010-08-03
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator.
Acs Chem.Biol., 5, 2010
3Q0W
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BU of 3q0w by Molmil
ETHR From mycobacterium tuberculosis in complex with compound BDM33066
Descriptor: (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, GLYCEROL, HTH-type transcriptional regulator EthR
Authors:Flipo, M, Desrose, M, Dirie, B, Carette, X, Leroux, F, Lens, Z, Rucktooa, P, Piveteau, C, Demirkaya, F, Locht, C, Villeret, V, Christophe, T, Jeon, H.K, Brodin, P, Deprez, B, Baulard, A, Willand, N.
Deposit date:2010-12-16
Release date:2011-12-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2012
3Q0V
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BU of 3q0v by Molmil
ETHR From mycobacterium tuberculosis in complex with compound bdm31369
Descriptor: 4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, HTH-type transcriptional regulator EthR
Authors:Flipo, M, Desroses, M, Dirie, B, Carette, X, Leroux, F, Lens, Z, Rucktooa, P, Leroux, F, Piveteau, C, Demirkaya, F, Locht, C, Villeret, V, Christophe, T, Jeon, H.K, Brodin, P, Deprez, B, Baulard, A, Willand, N.
Deposit date:2010-12-16
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, synthesis and optimization of new EthR inhibitors. A new alternative approach to fight tuberculosis by boosting ethionamide
To be Published
3Q0U
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BU of 3q0u by Molmil
EthR from Mycobacterium tuberculosis in complex with compound BDM31379
Descriptor: 2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone, HTH-type transcriptional regulator EthR
Authors:Flipo, M, Desroses, M, Dirie, B, Carette, X, Lens, Z, Rucktooa, P, Leroux, F, Piveteau, C, Demirkaya, F, Locht, C, Villeret, V, Christophe, T, Jeon, H.K, Brodin, P, Deprez, B, Baulard, A, Willand, N.
Deposit date:2010-12-16
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, synthesis and optimization of new EthR inhibitors. A new alternative approach to fight tuberculosis by boosting ethionamide
To be Published
3TP0
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BU of 3tp0 by Molmil
Structural activation of the transcriptional repressor EthR from M. tuberculosis by single amino-acid change mimicking natural and synthetic ligands
Descriptor: 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile, HTH-type transcriptional regulator EthR
Authors:Carette, X, Blondiaux, N, Willery, E, Hoos, S, Lecat-Guillet, N, Lens, Z, Wohlkonig, A, Wintjens, R, Soror, S, Fr nois, F, Diri, B, Villeret, V, England, P, Lippens, G, Deprez, B, Locht, C, Willand, N, Baulard, A.
Deposit date:2011-09-07
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2011
6H02
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BU of 6h02 by Molmil
Crystal structure of human Mediator subunit MED23
Descriptor: LAMA nanobody NB106, Mediator of RNA polymerase II transcription subunit 23
Authors:Clantin, B, Monte, D, Villeret, V.
Deposit date:2018-07-06
Release date:2018-08-29
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human Mediator subunit MED23.
Nat Commun, 9, 2018
3QPL
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BU of 3qpl by Molmil
G106W mutant of EthR from Mycobacterium tuberculosis
Descriptor: HTH-type transcriptional regulator EthR
Authors:Carette, X, Willery, E, Hoos, S, Lecat-Guillet, N, Frenois, F, Dirie, B, Villeret, V, England, P, Deprez, B, Locht, C, Willand, N, Baulard, A.
Deposit date:2011-02-14
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2012
2L23
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BU of 2l23 by Molmil
NMR structure of the ACID (ACtivator Interacting Domain) of the human mediator Med25 protein
Descriptor: Mediator of RNA polymerase II transcription subunit 25
Authors:Bontems, F, Monte, D, Dewitte, F, Villeret, V.
Deposit date:2010-08-10
Release date:2010-11-24
Last modified:2021-08-18
Method:SOLUTION NMR
Cite:NMR structure of the human Mediator MED25 ACID domain.
J.Struct.Biol., 174, 2011
3TP3
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BU of 3tp3 by Molmil
Structure of HTH-type transcriptional regulator EthR, G106W mutant
Descriptor: HTH-type transcriptional regulator EthR
Authors:Carette, X.
Deposit date:2011-09-07
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2011

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