6VVB
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![BU of 6vvb by Molmil](/molmil-images/mine/6vvb) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ... | 著者 | Tyrakis, P, Dias, M.V.B. | 登録日 | 2020-02-17 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VV9
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![BU of 6vv9 by Molmil](/molmil-images/mine/6vv9) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 | 分子名称: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | 登録日 | 2020-02-17 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6NOR
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![BU of 6nor by Molmil](/molmil-images/mine/6nor) | Crystal structure of GenD2 from gentamicin A biosynthesis in complex with NAD | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative NAD dependent dehydrogenase | 著者 | Araujo, N.C, Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | 登録日 | 2019-01-16 | 公開日 | 2019-05-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Crystal Structure of GenD2, an NAD-Dependent Oxidoreductase Involved in the Biosynthesis of Gentamicin. Acs Chem.Biol., 14, 2019
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6NNI
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![BU of 6nni by Molmil](/molmil-images/mine/6nni) | Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, COBALT (II) ION, ... | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | 登録日 | 2019-01-15 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.561 Å) | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6NND
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![BU of 6nnd by Molmil](/molmil-images/mine/6nnd) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate | 分子名称: | COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | 登録日 | 2019-01-14 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6VS8
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![BU of 6vs8 by Molmil](/molmil-images/mine/6vs8) | |
6VSF
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![BU of 6vsf by Molmil](/molmil-images/mine/6vsf) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16) | 分子名称: | 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Dias, M.V.B. | 登録日 | 2020-02-11 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.012 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6UI5
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![BU of 6ui5 by Molmil](/molmil-images/mine/6ui5) | |
6VS6
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![BU of 6vs6 by Molmil](/molmil-images/mine/6vs6) | |
6VV6
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![BU of 6vv6 by Molmil](/molmil-images/mine/6vv6) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | 分子名称: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | 登録日 | 2020-02-17 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.235 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6NNE
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![BU of 6nne by Molmil](/molmil-images/mine/6nne) | Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine | 分子名称: | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | 登録日 | 2019-01-14 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.595 Å) | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6VSD
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6VSG
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![BU of 6vsg by Molmil](/molmil-images/mine/6vsg) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) | 分子名称: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Dias, M.V.B. | 登録日 | 2020-02-11 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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8COW
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![BU of 8cow by Molmil](/molmil-images/mine/8cow) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine | 分子名称: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | 登録日 | 2023-03-01 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Currently unpublished To Be Published
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8COX
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![BU of 8cox by Molmil](/molmil-images/mine/8cox) | |
8CQ8
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![BU of 8cq8 by Molmil](/molmil-images/mine/8cq8) | |
8CQ9
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![BU of 8cq9 by Molmil](/molmil-images/mine/8cq9) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine, COBALT (II) ION, ... | 著者 | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | 登録日 | 2023-03-04 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
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8CQA
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![BU of 8cqa by Molmil](/molmil-images/mine/8cqa) | |
8COP
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![BU of 8cop by Molmil](/molmil-images/mine/8cop) | |
8COQ
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5U18
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![BU of 5u18 by Molmil](/molmil-images/mine/5u18) | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the Geneticin | 分子名称: | GENETICIN, N-3'' methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | 登録日 | 2016-11-28 | 公開日 | 2017-11-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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5U1E
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![BU of 5u1e by Molmil](/molmil-images/mine/5u1e) | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the kanamycin B | 分子名称: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Putative gentamicin methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | 登録日 | 2016-11-28 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.213 Å) | 主引用文献 | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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5U19
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![BU of 5u19 by Molmil](/molmil-images/mine/5u19) | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with (1R,2S,3S,4R,6R)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside | 分子名称: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ... | 著者 | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | 登録日 | 2016-11-28 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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5U1I
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![BU of 5u1i by Molmil](/molmil-images/mine/5u1i) | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the methylated Kanamycin B | 分子名称: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CALCIUM ION, Putative gentamicin methyltransferase, ... | 著者 | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | 登録日 | 2016-11-28 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.932 Å) | 主引用文献 | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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8CRH
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![BU of 8crh by Molmil](/molmil-images/mine/8crh) | Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil | 分子名称: | 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Kirkman, T.J, Dias, M.V.B. | 登録日 | 2023-03-08 | 公開日 | 2023-08-02 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris. Acta Crystallogr D Struct Biol, 79, 2023
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