5F91
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![BU of 5f91 by Molmil](/molmil-images/mine/5f91) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide) | 分子名称: | CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ... | 著者 | Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J. | 登録日 | 2015-12-09 | 公開日 | 2016-06-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site. Proc.Natl.Acad.Sci.USA, 113, 2016
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5F92
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![BU of 5f92 by Molmil](/molmil-images/mine/5f92) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate | 分子名称: | CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ... | 著者 | Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J. | 登録日 | 2015-12-09 | 公開日 | 2016-06-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | 主引用文献 | Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site. Proc.Natl.Acad.Sci.USA, 113, 2016
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3R5L
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![BU of 3r5l by Molmil](/molmil-images/mine/3r5l) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-18 | 公開日 | 2012-01-18 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5R
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![BU of 3r5r by Molmil](/molmil-images/mine/3r5r) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | 分子名称: | COENZYME F420, Deazaflavin-dependent nitroreductase | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-19 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5W
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![BU of 3r5w by Molmil](/molmil-images/mine/3r5w) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | 分子名称: | COENZYME F420, Deazaflavin-dependent nitroreductase | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-20 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.786 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5P
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![BU of 3r5p by Molmil](/molmil-images/mine/3r5p) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | 分子名称: | Deazaflavin-dependent nitroreductase, SULFATE ION | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-19 | 公開日 | 2012-01-18 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5Y
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![BU of 3r5y by Molmil](/molmil-images/mine/3r5y) | Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420 | 分子名称: | COENZYME F420, Putative uncharacterized protein | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-20 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5Z
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![BU of 3r5z by Molmil](/molmil-images/mine/3r5z) | Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420 | 分子名称: | COENZYME F420, Putative uncharacterized protein, SULFATE ION | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-20 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.503 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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6S7U
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![BU of 6s7u by Molmil](/molmil-images/mine/6s7u) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(1H-indol-3-yl)acetamide | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | 登録日 | 2019-07-06 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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4QVB
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![BU of 4qvb by Molmil](/molmil-images/mine/4qvb) | Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420 | 分子名称: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ... | 著者 | Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N. | 登録日 | 2014-07-14 | 公開日 | 2015-02-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis. Protein Sci., 24, 2015
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6S7Z
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![BU of 6s7z by Molmil](/molmil-images/mine/6s7z) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | 登録日 | 2019-07-07 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6S43
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![BU of 6s43 by Molmil](/molmil-images/mine/6s43) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azocan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | 登録日 | 2019-06-26 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6S7K
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![BU of 6s7k by Molmil](/molmil-images/mine/6s7k) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | 登録日 | 2019-07-05 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6S7W
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![BU of 6s7w by Molmil](/molmil-images/mine/6s7w) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(quinolin-4-yl)acetamide | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | 登録日 | 2019-07-07 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6S7S
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![BU of 6s7s by Molmil](/molmil-images/mine/6s7s) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-phenylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | 分子名称: | FORMIC ACID, Fumarate hydratase class II, ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | 登録日 | 2019-07-05 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6S88
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![BU of 6s88 by Molmil](/molmil-images/mine/6s88) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)sulfonyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | 登録日 | 2019-07-08 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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3DWZ
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![BU of 3dwz by Molmil](/molmil-images/mine/3dwz) | Meropenem Covalent Adduct with TB Beta-lactamase | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Tremblay, L.W, Hugonnet, J.E, Blanchard, J.S. | 登録日 | 2008-07-23 | 公開日 | 2009-03-10 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Meropenem-clavulanate is effective against extensively drug-resistant Mycobacterium tuberculosis Science, 323, 2009
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8OW5
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![BU of 8ow5 by Molmil](/molmil-images/mine/8ow5) | |
8OWB
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![BU of 8owb by Molmil](/molmil-images/mine/8owb) | |
8OWP
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![BU of 8owp by Molmil](/molmil-images/mine/8owp) | |
8OWQ
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![BU of 8owq by Molmil](/molmil-images/mine/8owq) | |
8OWR
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![BU of 8owr by Molmil](/molmil-images/mine/8owr) | |
5NZ1
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![BU of 5nz1 by Molmil](/molmil-images/mine/5nz1) | |
5NZ0
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![BU of 5nz0 by Molmil](/molmil-images/mine/5nz0) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with linezolid | 分子名称: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide | 著者 | Blaszczyk, M, Mendes, V, Nikiforov, P.O, Blundell, T.L. | 登録日 | 2017-05-12 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.825 Å) | 主引用文献 | The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR To Be Published
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6TGV
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![BU of 6tgv by Molmil](/molmil-images/mine/6tgv) | Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN | 分子名称: | 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Coenzyme A biosynthesis bifunctional protein CoaBC, ... | 著者 | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | 登録日 | 2019-11-18 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site. Nat Commun, 12, 2021
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