RCSB PDB: Search

3G1L \| pdb_00003g1l	Download File View File

EthR from Mycobacterium tuberculosis in complex with compound BDM14744

Willand, N., Dirie, B., Carette, X., Bifani, P., Singhal, A., Desroses, M., Leroux, F., Willery, E., Mathys, V., Deprez-Poulain, R., Delcroix, G., Frenois, F., Aumercier, M., Locht, C., Villeret, V., Deprez, B., Baulard, A.R.

(2009) Nat Med 15: 537-544

Released	2009-07-21
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR (protein)
Unique Ligands	RF2

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3G1M \| pdb_00003g1m	Download File View File

EthR from Mycobacterium tuberculosis in complex with compound BDM31381

Willand, N., Dirie, B., Carette, X., Bifani, P., Singhal, A., Desroses, M., Leroux, F., Willery, E., Mathys, V., Deprez-Poulain, R., Delcroix, G., Frenois, F., Aumercier, M., Locht, C., Villeret, V., Deprez, B., Baulard, A.R.

(2009) Nat Med 15: 537-544

Released	2009-07-21
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR (protein)
Unique Ligands	RF3

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3G1O \| pdb_00003g1o	Download File View File

EthR from Mycobacterium tuberculosis in complex with compound BDM14500

Willand, N., Dirie, B., Carette, X., Bifani, P., Singhal, A., Desroses, M., Leroux, F., Willery, E., Mathys, V., Deprez-Poulain, R., Delcroix, G., Frenois, F., Aumercier, M., Locht, C., Villeret, V., Deprez, B., Baulard, A.R.

(2009) Nat Med 15: 537-544

Released	2009-07-21
Method	X-RAY DIFFRACTION 1.85 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR (protein)
Unique Ligands	RF1

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3O8G \| pdb_00003o8g	Download File View File

EthR from Mycobacterium tuberculosis in complex with compound BDM14801

Willand, N., Desroses, M., Toto, P., Diri, B., Lens, Z., Villeret, V., Rucktooa, P., Locht, C., Baulard, A., Deprez, B.

(2010) ACS Chem Biol 5: 1007-1013

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR (protein)
Unique Ligands	O8G

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3O8H \| pdb_00003o8h	Download File View File

EthR from Mycobacterium tuberculosis in complex with compound BDM14950

Willand, N., Desroses, M., Toto, P., Diri, B., Lens, Z., Villeret, V., Rucktooa, P., Locht, C., Baulard, A., Deprez, B.

(2010) ACS Chem Biol 5: 1007-1013

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	Transcriptional Regulatory Repressor protein (TETR-Family) EthR (protein)
Unique Ligands	O8H

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3Q0U \| pdb_00003q0u	Download File View File

EthR from Mycobacterium tuberculosis in complex with compound BDM31379

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.

To be published

Released	2012-01-11
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	LL3

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3Q0V \| pdb_00003q0v	Download File View File

ETHR From mycobacterium tuberculosis in complex with compound bdm31369

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.

To be published

Released	2012-01-11
Method	X-RAY DIFFRACTION 1.95 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	LL4

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3Q0W \| pdb_00003q0w	Download File View File

ETHR From mycobacterium tuberculosis in complex with compound BDM33066

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.

(2012) Nucleic Acids Res 40: 3018-3030

Released	2011-12-21
Method	X-RAY DIFFRACTION 1.6 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	GOL, LL5

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3Q3S \| pdb_00003q3s	Download File View File

EthR from Mycobacterium tuberculosis in complex with compound BDM5683

Lens, Z., Willand, N., Villeret, V.

To be published

Released	2012-01-18
Method	X-RAY DIFFRACTION 2 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	O8B

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3QPL \| pdb_00003qpl	Download File View File

G106W mutant of EthR from Mycobacterium tuberculosis

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.

(2012) Nucleic Acids Res 40: 3018-3030

Released	2011-12-28
Method	X-RAY DIFFRACTION 3.2 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	HTH-type transcriptional regulator EthR (protein)

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3SDG \| pdb_00003sdg	Download File View File

Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.

Flipo, M., Desroses, M., Lecat-Guillet, N., Villemagne, B., Blondiaux, N., Leroux, F., Piveteau, C., Mathys, V., Flament, M.P., Siepmann, J., Villeret, V., Wohlkonig, A., Wintjens, R., Soror, S.H., Christophe, T., Jeon, H.K., Locht, C., Brodin, P., D prez, B., Baulard, A.R., Willand, N.

(2012) J Med Chem 55: 68-83

Released	2011-12-07
Method	X-RAY DIFFRACTION 1.87 Å
Organisms	Mycobacterium tuberculosis H37Rv
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	3SE

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3SFI \| pdb_00003sfi	Download File View File

Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.

Flipo, M., Desroses, M., Lecat-Guillet, N., Villemagne, B., Blondiaux, N., Leroux, F., Piveteau, C., Mathys, V., Flament, M.P., Siepmann, J., Villeret, V., Wohlkonig, A., Wintjens, R., Soror, S.H., Christophe, T., Jeon, H.K., Locht, C., Brodin, P., D prez, B., Baulard, A.R., Willand, N.

(2012) J Med Chem 55: 68-83

Released	2011-12-07
Method	X-RAY DIFFRACTION 2.31 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	Transcriptional regulatory repressor protein (TETR-family) (protein)
Unique Ligands	3SF

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3TP0 \| pdb_00003tp0	Download File View File

Structural activation of the transcriptional repressor EthR from M. tuberculosis by single amino-acid change mimicking natural and synthetic ligands

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.

(2011) Nucleic Acids Res 40: 3018-3030

Released	2011-12-21
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	FO5

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3TP3 \| pdb_00003tp3	Download File View File

Structure of HTH-type transcriptional regulator EthR, G106W mutant

Carette, X.

(2011) Nucleic Acids Res 40: 3018-3030

Released	2011-12-21
Method	X-RAY DIFFRACTION 1.86 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	HTH-type transcriptional regulator EthR (protein)

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4DW6 \| pdb_00004dw6	Download File View File

Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.

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.

(2012) J Med Chem 55: 6391-6402

Released	2013-03-27
Method	X-RAY DIFFRACTION 2 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	0MN, GOL, NH4

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4M3B \| pdb_00004m3b	Download File View File

Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches

Villemagne, B., Flipo, M., Blondiaux, N., Crauste, C., Malaquin, S., Leroux, F., Piveteau, C., Villeret, V., Brodin, P., Villoutreix, B., Sperandio, O., Wohlkonig, A., Wintjens, R., Deprez, B., Baulard, A., Willand, N.

(2014) J Med Chem 57: 4876-4888

Released	2014-06-25
Method	X-RAY DIFFRACTION 2.001 Å
Organisms	Mycobacterium tuberculosis H37Rv
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	2B2

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4M3D \| pdb_00004m3d	Download File View File

Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches

Villemagne, B., Flipo, M., Blondiaux, N., Crauste, C., Malaquin, S., Leroux, F., Piveteau, C., Villeret, V., Brodin, P., Villoutreix, B., Sperandio, O., Wohlkonig, A., Wintjens, R., Deprez, B., Baulard, A., Willand, N.

(2014) J Med Chem 57: 4876-4888

Released	2014-06-25
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Mycobacterium tuberculosis H37Rv
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	2H2

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4M3E \| pdb_00004m3e	Download File View File

Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches

Villemagne, B., Flipo, M., Blondiaux, N., Crauste, C., Malaquin, S., Leroux, F., Piveteau, C., Villeret, V., Brodin, P., Villoutreix, B., Sperandio, O., Wohlkonig, A., Wintjens, R., Deprez, B., Baulard, A., Willand, N.

(2014) J Med Chem 57: 4876-4888

Released	2014-06-25
Method	X-RAY DIFFRACTION 2.109 Å
Organisms	Mycobacterium tuberculosis H37Rv
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	2B3

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4M3F \| pdb_00004m3f	Download File View File

Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches

Villemagne, B., Flipo, M., Blondiaux, N., Crauste, C., Malaquin, S., Leroux, F., Piveteau, C., Villeret, V., Brodin, P., Villoutreix, B., Sperandio, O., Wohlkonig, A., Wintjens, R., Deprez, B., Baulard, A., Willand, N.

(2014) J Med Chem 57: 4876-4888

Released	2014-06-25
Method	X-RAY DIFFRACTION 2 Å
Organisms	Mycobacterium tuberculosis H37Rv
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	2D1

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4M3G \| pdb_00004m3g	Download File View File

Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches

Villemagne, B., Flipo, M., Blondiaux, N., Crauste, C., Malaquin, S., Leroux, F., Piveteau, C., Villeret, V., Brodin, P., Villoutreix, B., Sperandio, O., Wohlkonig, A., Wintjens, R., Deprez, B., Baulard, A., Willand, N.

(2014) J Med Chem 57: 4876-4888

Released	2014-06-25
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Mycobacterium tuberculosis H37Rv
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	2G1

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5EYR \| pdb_00005eyr	Download File View File

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 5 at 1.57A resolution

Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.

(2016) Org Biomol Chem 14: 2318-2326

Released	2016-02-03
Method	X-RAY DIFFRACTION 1.57 Å
Organisms	Mycobacterium tuberculosis
Macromolecule	EthR (protein)
Unique Ligands	5T0

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5EZG \| pdb_00005ezg	Download File View File

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution

Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.

(2016) Org Biomol Chem 14: 2318-2326

Released	2016-02-03
Method	X-RAY DIFFRACTION 1.84 Å
Organisms	Mycobacterium tuberculosis CDC1551
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	5T4, SO4

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5EZH \| pdb_00005ezh	Download File View File

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 21 at 1.7A resolution

Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.

(2016) Org Biomol Chem 14: 2318-2326

Released	2016-02-03
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Mycobacterium tuberculosis CDC1551
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	841, SO4

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5F04 \| pdb_00005f04	Download File View File

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 3 at 1.84A resolution

Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.

(2016) Org Biomol Chem 14: 2318-2326

Released	2016-02-03
Method	X-RAY DIFFRACTION 1.84 Å
Organisms	Mycobacterium tuberculosis CDC1551
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	5TB, EDO, GOL, SO4

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5F08 \| pdb_00005f08	Download File View File

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 14 at 1.92A resolution

Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.

(2016) Org Biomol Chem 14: 2318-2326

Released	2016-02-03
Method	X-RAY DIFFRACTION 1.92 Å
Organisms	Mycobacterium tuberculosis CDC1551
Macromolecule	HTH-type transcriptional regulator EthR (protein)
Unique Ligands	5TG

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Structure Determination Methodology

Scientific Name of Source Organism

Taxonomy

Experimental Method

Polymer Entity Type

Refinement Resolution (Å)

Release Date

Symmetry Type

SCOP Classification

3G1L | pdb_00003g1l

3G1M | pdb_00003g1m

3G1O | pdb_00003g1o

3O8G | pdb_00003o8g

3O8H | pdb_00003o8h

3Q0U | pdb_00003q0u

3Q0V | pdb_00003q0v

3Q0W | pdb_00003q0w

3Q3S | pdb_00003q3s

3QPL | pdb_00003qpl

3SDG | pdb_00003sdg

3SFI | pdb_00003sfi

3TP0 | pdb_00003tp0

3TP3 | pdb_00003tp3

4DW6 | pdb_00004dw6

4M3B | pdb_00004m3b

4M3D | pdb_00004m3d

4M3E | pdb_00004m3e

4M3F | pdb_00004m3f

4M3G | pdb_00004m3g

5EYR | pdb_00005eyr

5EZG | pdb_00005ezg

5EZH | pdb_00005ezh

5F04 | pdb_00005f04

5F08 | pdb_00005f08