4V2I
| Biochemical characterization and structural analysis of a new cold- active and salt tolerant esterase from the marine bacterium Thalassospira sp | 分子名称: | ESTERASE/LIPASE, MAGNESIUM ION | 著者 | Santi, C.D, Leiros, H.-K.S, Scala, A.D, Pascale, D.D, Altermark, B, Willassen, N.-P. | 登録日 | 2014-10-10 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.686 Å) | 主引用文献 | Biochemical Characterization and Structural Analysis of a New Cold-Active and Salt-Tolerant Esterase from the Marine Bacterium Thalassospira Sp. Extremophiles, 20, 2016
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5N1I
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5N1C
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5N7O
| EthR2 in complex with SMARt-420 compound | 分子名称: | 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 | 著者 | Wohlkonig, A, Wintjens, R. | 登録日 | 2017-02-21 | 公開日 | 2017-04-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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8H53
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3TP3
| Structure of HTH-type transcriptional regulator EthR, G106W mutant | 分子名称: | HTH-type transcriptional regulator EthR | 著者 | Carette, X. | 登録日 | 2011-09-07 | 公開日 | 2011-12-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | 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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8TC9
| Human asparaginyl-tRNA synthetase bound to OSM-S-106 | 分子名称: | Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ... | 著者 | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | 登録日 | 2023-06-30 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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8TC8
| Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate | 分子名称: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ... | 著者 | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | 登録日 | 2023-06-30 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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8TC7
| Human asparaginyl-tRNA synthetase, apo form | 分子名称: | Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... | 著者 | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | 登録日 | 2023-06-30 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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7OUK
| BDM88855 inhibitor bound to the transmembrane domain of AcrB | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2021-06-12 | 公開日 | 2021-12-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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7OUL
| BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A | 分子名称: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2021-06-12 | 公開日 | 2021-12-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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7OUM
| BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A | 分子名称: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 3-chloranyl-2-piperazin-1-yl-quinoline, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2021-06-12 | 公開日 | 2021-12-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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8P1I
| Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution | 分子名称: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ... | 著者 | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | 登録日 | 2023-05-12 | 公開日 | 2024-01-17 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae. Embo Mol Med, 16, 2024
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6R1P
| EthR ligand complex | 分子名称: | 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one, HTH-type transcriptional regulator EthR | 著者 | Pohl, E, Tatum, N. | 登録日 | 2019-03-14 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. J Phys Chem Lett, 10, 2019
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6R1S
| EthR ligand complex | 分子名称: | 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR | 著者 | Pohl, E, Tatum, N. | 登録日 | 2019-03-14 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. J Phys Chem Lett, 10, 2019
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6HO0
| TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41325 | 分子名称: | 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR | 著者 | Wintjens, R, Wohlkonig, A. | 登録日 | 2018-09-17 | 公開日 | 2018-12-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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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6HO6
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6HS1
| EthR2 in complex with compound 9 (BDM76060) | 分子名称: | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one, Probable transcriptional regulatory protein | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | 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
| TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44693 | 分子名称: | 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR | 著者 | Wintjens, R, Wohlkonig, A. | 登録日 | 2018-09-17 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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
| EthR2 in complex with compound 3 (BDM72719) | 分子名称: | 1-(6-methylpyridin-2-yl)-3-propyl-urea, Probable transcriptional regulatory protein | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | 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) | 分子名称: | 1-(1,3-benzothiazol-2-yl)guanidine, Probable transcriptional regulatory protein | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | 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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6HNX
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6HO1
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6HO5
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6HOD
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