4V2I
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![BU of 4v2i by Molmil](/molmil-images/mine/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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8H53
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3TP3
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![BU of 3tp3 by Molmil](/molmil-images/mine/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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7OUK
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![BU of 7ouk by Molmil](/molmil-images/mine/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
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![BU of 7oul by Molmil](/molmil-images/mine/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
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![BU of 7oum by Molmil](/molmil-images/mine/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
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![BU of 8p1i by Molmil](/molmil-images/mine/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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8TC9
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![BU of 8tc9 by Molmil](/molmil-images/mine/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
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![BU of 8tc8 by Molmil](/molmil-images/mine/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
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![BU of 8tc7 by Molmil](/molmil-images/mine/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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6R1P
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![BU of 6r1p by Molmil](/molmil-images/mine/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
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![BU of 6r1s by Molmil](/molmil-images/mine/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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7ROR
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![BU of 7ror by Molmil](/molmil-images/mine/7ror) | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP | 分子名称: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | 登録日 | 2021-08-02 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy. Science, 376, 2022
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7ROS
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![BU of 7ros by Molmil](/molmil-images/mine/7ros) | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | 著者 | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | 登録日 | 2021-08-02 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy. Science, 376, 2022
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7ROU
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![BU of 7rou by Molmil](/molmil-images/mine/7rou) | Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr | 分子名称: | SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ... | 著者 | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | 登録日 | 2021-08-02 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy. Science, 376, 2022
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7ROT
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![BU of 7rot by Molmil](/molmil-images/mine/7rot) | Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | 著者 | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | 登録日 | 2021-08-02 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy. Science, 376, 2022
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6HNZ
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![BU of 6hnz by Molmil](/molmil-images/mine/6hnz) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231 | 分子名称: | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-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 (1.7 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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6HRW
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![BU of 6hrw by Molmil](/molmil-images/mine/6hrw) | EthR2 in complex with compound 1 (BDM14272) | 分子名称: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-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 (2.45 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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6HO2
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6HS2
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![BU of 6hs2 by Molmil](/molmil-images/mine/6hs2) | EthR2 in complex with compound 31 (BDM76150) | 分子名称: | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-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 (1.87 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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6HO7
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6HO8
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6HOF
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6HS1
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![BU of 6hs1 by Molmil](/molmil-images/mine/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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6HO0
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![BU of 6ho0 by Molmil](/molmil-images/mine/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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