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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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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6HS1
| EthR2 in complex with compound 9 (BDM76060) | Descriptor: | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one, 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 (1.69 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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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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5WM9
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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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6HS2
| EthR2 in complex with compound 31 (BDM76150) | Descriptor: | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one, 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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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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5ICJ
| Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420 | 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, Remaut, H, Tanina, A, Meyer, F, Willand, N, Baulard, A.R, Wintjens, R. | Deposit date: | 2016-02-23 | Release date: | 2017-04-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420. Science, 355, 2017
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5N1I
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6HRW
| EthR2 in complex with compound 1 (BDM14272) | Descriptor: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one, 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 (2.45 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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5N1C
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6C31
| Crystal structure of TetR family protein Rv0078 in complex with DNA | Descriptor: | DNA (5'-D(*GP*TP*TP*AP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*GP*CP*TP*TP*GP*TP*AP*AP*A)-3'), DNA (5'-D(P*AP*CP*AP*AP*GP*CP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*TP*AP*AP*C)-3'), TetR family transcriptional regulator | Authors: | Hsu, H.C, Li, H. | Deposit date: | 2018-01-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cytokinin Signaling in Mycobacterium tuberculosis. MBio, 9, 2018
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