2XW7
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![BU of 2xw7 by Molmil](/molmil-images/mine/2xw7) | Structure of Mycobacterium smegmatis putative reductase MS0308 | 分子名称: | DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | 著者 | Evangelopoulos, D, Gupta, A, Lack, N, Cronin, N, Daviter, T, Sim, E, Keep, N.H, Bhakta, S. | 登録日 | 2010-11-01 | 公開日 | 2010-12-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Characterization of an Oxidoreductase from the Arylamine N-Acetyltransferase Operon in Mycobacterium Smegmatis. FEBS J., 278, 2011
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5JZ9
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![BU of 5jz9 by Molmil](/molmil-images/mine/5jz9) | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | 分子名称: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | 著者 | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | 登録日 | 2016-05-16 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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5JZS
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![BU of 5jzs by Molmil](/molmil-images/mine/5jzs) | HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid | 分子名称: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid | 著者 | Ryan, A, Polycarpou, E, Lack, N, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E.D, Ballet, R, Abuhammad, A, Ciulli, A, Sim, E. | 登録日 | 2016-05-17 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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5JZB
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![BU of 5jzb by Molmil](/molmil-images/mine/5jzb) | Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | 分子名称: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | 著者 | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | 登録日 | 2016-05-16 | 公開日 | 2017-04-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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7NQM
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![BU of 7nqm by Molmil](/molmil-images/mine/7nqm) | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... | 著者 | Selvam, I.R. | 登録日 | 2021-03-01 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
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7NQO
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![BU of 7nqo by Molmil](/molmil-images/mine/7nqo) | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | 著者 | Selvam, I.R. | 登録日 | 2021-03-01 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
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7NQN
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![BU of 7nqn by Molmil](/molmil-images/mine/7nqn) | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | 著者 | Selvam, I.R. | 登録日 | 2021-03-01 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
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8B8H
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![BU of 8b8h by Molmil](/molmil-images/mine/8b8h) | Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS | 分子名称: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ... | 著者 | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | 登録日 | 2022-10-04 | 公開日 | 2023-04-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis . Acs Bio Med Chem Au, 3, 2023
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8AHW
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![BU of 8ahw by Molmil](/molmil-images/mine/8ahw) | Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis | 分子名称: | 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL | 著者 | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | 登録日 | 2022-07-22 | 公開日 | 2023-04-05 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis . Acs Bio Med Chem Au, 3, 2023
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