1ORK
| TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE | 分子名称: | 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR | 著者 | Orth, P, Schnappinger, D, Sum, P.-E, Ellestad, G.A, Hillen, W, Saenger, W, Hinrichs, W. | 登録日 | 1998-05-21 | 公開日 | 1999-06-15 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of the tet repressor in complex with a novel tetracycline, 9-(N,N-dimethylglycylamido)- 6-demethyl-6-deoxy-tetracycline. J.Mol.Biol., 285, 1999
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1A6I
| TET REPRESSOR, CLASS D VARIANT | 分子名称: | TETRACYCLINE REPRESSOR PROTEIN CLASS D | 著者 | Orth, P, Cordes, F, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W. | 登録日 | 1998-02-25 | 公開日 | 1999-03-02 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Conformational changes of the Tet repressor induced by tetracycline trapping. J.Mol.Biol., 279, 1998
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1QPI
| CRYSTAL STRUCTURE OF TETRACYCLINE REPRESSOR/OPERATOR COMPLEX | 分子名称: | DNA (5'-D(*CP*CP*TP*AP*TP*CP*AP*AP*TP*GP*AP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*TP*CP*AP*TP*TP*GP*AP*TP*AP*GP*G)-3'), IMIDAZOLE, ... | 著者 | Orth, P, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W. | 登録日 | 1999-05-25 | 公開日 | 2000-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis of gene regulation by the tetracycline inducible Tet repressor-operator system. Nat.Struct.Biol., 7, 2000
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4A22
| Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to N-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate | 分子名称: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, ... | 著者 | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | 登録日 | 2011-09-21 | 公開日 | 2011-10-12 | 最終更新日 | 2018-11-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli. J. Biol. Chem., 286, 2011
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4A21
| Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to sulfate | 分子名称: | FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, SULFATE ION | 著者 | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | 登録日 | 2011-09-21 | 公開日 | 2011-10-05 | 最終更新日 | 2011-11-30 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Glycolytic and Non-Glycolytic Functions of the Fructose-1,6-Bisphosphate Aldolase of Mycobacterium Tuberculosis, an Essential Enzyme Produced by Replicating and Non-Replicating Bacilli J.Biol.Chem., 286, 2011
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7M7V
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4W1W
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one | 分子名称: | 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | 著者 | Finzel, B.C, Ran, D. | 登録日 | 2014-08-13 | 公開日 | 2015-02-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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3TFT
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, pre-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor | 分子名称: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE | 著者 | Geders, T.W, Finzel, B.C. | 登録日 | 2011-08-16 | 公開日 | 2011-10-19 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis. J.Am.Chem.Soc., 133, 2011
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3TFU
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor | 分子名称: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate | 著者 | Geders, T.W, Finzel, B.C. | 登録日 | 2011-08-16 | 公開日 | 2011-10-19 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis. J.Am.Chem.Soc., 133, 2011
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4W1V
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor | 分子名称: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... | 著者 | Finzel, B.C, Dai, R. | 登録日 | 2014-08-13 | 公開日 | 2015-02-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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4W1X
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone | 分子名称: | 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | 著者 | Finzel, B.C, Dai, R. | 登録日 | 2014-08-13 | 公開日 | 2015-02-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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7DB7
| Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound GDI05-001 | 分子名称: | 1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ... | 著者 | Xu, M, Zhang, X, Xu, L, Chen, S. | 登録日 | 2020-10-19 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis . J.Biol.Chem., 2021
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7DAW
| Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase | 分子名称: | Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, SULFATE ION | 著者 | Xu, M, Zhang, X, Xu, L, Chen, S. | 登録日 | 2020-10-18 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis . J.Biol.Chem., 2021
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7DB8
| Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845 | 分子名称: | N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ... | 著者 | Xu, M, Zhang, X, Xu, L, Chen, S. | 登録日 | 2020-10-19 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis . J.Biol.Chem., 2021
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5KGT
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone | 分子名称: | 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Maize, K.M, Divakaran, A, Aldrich, C.C, Finzel, B.C. | 登録日 | 2016-06-13 | 公開日 | 2017-06-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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5KGS
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one | 分子名称: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Maize, K.M, Aldrich, C.C, Finzel, B.C. | 登録日 | 2016-06-13 | 公開日 | 2017-06-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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3RUX
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6CT5
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4XTU
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) | 分子名称: | Bifunctional ligase/repressor BirA, N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | 著者 | De la Mora-Rey, T, Finzel, B.C. | 登録日 | 2015-01-24 | 公開日 | 2016-01-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6500299 Å) | 主引用文献 | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) To be Published
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6FKG
| Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | 分子名称: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | 著者 | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | 登録日 | 2018-01-24 | 公開日 | 2019-02-27 | 最終更新日 | 2019-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death. Mol.Cell, 73, 2019
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8TQG
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8TR4
| Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | 分子名称: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | 著者 | Krieger, I.V, Sacchettini, J.C. | 登録日 | 2023-08-09 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 2024
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8TRY
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8TQV
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7QI8
| CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR | 分子名称: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1 | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | 登録日 | 2021-12-14 | 公開日 | 2022-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs. Nat Commun, 13, 2022
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