6HO6
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6HNX
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6HO1
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6HO5
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6HOB
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6HRZ
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![BU of 6hrz by Molmil](/molmil-images/mine/6hrz) | EthR2 in complex with compound 4 (BDM72170) | Descriptor: | 1-(1,3-benzothiazol-2-yl)guanidine, Probable transcriptional regulatory protein | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | Deposit date: | 2018-09-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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6HO4
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![BU of 6ho4 by Molmil](/molmil-images/mine/6ho4) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44693 | Descriptor: | 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
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6HRY
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![BU of 6hry by Molmil](/molmil-images/mine/6hry) | EthR2 in complex with compound 3 (BDM72719) | Descriptor: | 1-(6-methylpyridin-2-yl)-3-propyl-urea, Probable transcriptional regulatory protein | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | Deposit date: | 2018-09-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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6HOD
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6HO9
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![BU of 6ho9 by Molmil](/molmil-images/mine/6ho9) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44825 | Descriptor: | 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
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6HS0
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![BU of 6hs0 by Molmil](/molmil-images/mine/6hs0) | EthR2 in complex with compound 5 (BDM71847) | Descriptor: | 1-[(3-chlorophenyl)methyl]piperazine, Probable transcriptional regulatory protein | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | Deposit date: | 2018-09-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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6HOE
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6HRX
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![BU of 6hrx by Molmil](/molmil-images/mine/6hrx) | EthR2 in complex with compound 2 (BDM72201) | Descriptor: | 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine, Probable transcriptional regulatory protein | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | Deposit date: | 2018-09-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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6HO3
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6HOC
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6HOA
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![BU of 6hoa by Molmil](/molmil-images/mine/6hoa) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44830 | Descriptor: | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
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5N1C
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5N1I
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5N7O
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![BU of 5n7o by Molmil](/molmil-images/mine/5n7o) | EthR2 in complex with SMARt-420 compound | Descriptor: | 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one, Probable transcriptional regulatory protein | Authors: | Wohlkonig, A, Wintjens, R. | Deposit date: | 2017-02-21 | Release date: | 2017-04-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2. Biochem. Biophys. Res. Commun., 487, 2017
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2XYA
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![BU of 2xya by Molmil](/molmil-images/mine/2xya) | Non-covalent inhibtors of rhinovirus 3C protease. | Descriptor: | 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C | Authors: | Petersen, J, Edman, K, Edfeldt, F, Johansson, C. | Deposit date: | 2010-11-16 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Non-Covalent Inhibitors of Rhinovirus 3C Protease. Bioorg.Med.Chem.Lett., 21, 2011
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6WI6
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![BU of 6wi6 by Molmil](/molmil-images/mine/6wi6) | Crystal structure of plantacyclin B21AG | Descriptor: | MALONATE ION, Plantacyclin B21AG | Authors: | Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J. | Deposit date: | 2020-04-08 | Release date: | 2021-01-06 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity. Sci Rep, 10, 2020
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5NIM
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![BU of 5nim by Molmil](/molmil-images/mine/5nim) | EthR complex | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone | Authors: | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | Deposit date: | 2017-03-24 | Release date: | 2017-11-15 | Last modified: | 2017-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New active leads for tuberculosis booster drugs by structure-based drug discovery. Org. Biomol. Chem., 15, 2017
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5NJ0
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![BU of 5nj0 by Molmil](/molmil-images/mine/5nj0) | EthR complex | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(2~{R})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide | Authors: | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | Deposit date: | 2017-03-27 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New active leads for tuberculosis booster drugs by structure-based drug discovery. Org. Biomol. Chem., 15, 2017
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5NIO
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![BU of 5nio by Molmil](/molmil-images/mine/5nio) | EthR complex | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide | Authors: | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | Deposit date: | 2017-03-24 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | New active leads for tuberculosis booster drugs by structure-based drug discovery. Org. Biomol. Chem., 15, 2017
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5NIZ
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![BU of 5niz by Molmil](/molmil-images/mine/5niz) | EthR complex | Descriptor: | 1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide, HTH-type transcriptional regulator EthR, SULFATE ION | Authors: | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | Deposit date: | 2017-03-27 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | New active leads for tuberculosis booster drugs by structure-based drug discovery. Org. Biomol. Chem., 15, 2017
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