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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6VS8
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![BU of 6vs8 by Molmil](/molmil-images/mine/6vs8) | |
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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6D4K
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6D51
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![BU of 6d51 by Molmil](/molmil-images/mine/6d51) | Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis in complex with a faropenem-derived adduct | 分子名称: | ACETYL GROUP, CALCIUM ION, Probable L,D-transpeptidase 3 | 著者 | Libreros, G.A, Dias, M.V.B. | 登録日 | 2018-04-19 | 公開日 | 2019-02-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis. ACS Infect Dis, 5, 2019
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5U4T
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![BU of 5u4t by Molmil](/molmil-images/mine/5u4t) | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, Putative gentamicin methyltransferase, ... | 著者 | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | 登録日 | 2016-12-06 | 公開日 | 2017-11-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.086 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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5URO
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![BU of 5uro by Molmil](/molmil-images/mine/5uro) | Structure of a soluble epoxide hydrolase identified in Trichoderma reesei | 分子名称: | 2,2'-oxydi(ethyn-1-ol), Predicted protein | 著者 | Wilson, C, de Oliveira, G, Chambergo, F, Dias, M.V.B. | 登録日 | 2017-02-11 | 公開日 | 2017-05-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | 主引用文献 | Structure of a soluble epoxide hydrolase identified in Trichoderma reesei. Biochim. Biophys. Acta, 1865, 2017
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5U0T
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![BU of 5u0t by Molmil](/molmil-images/mine/5u0t) | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with (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 | 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, MAGNESIUM ION, Putative gentamicin methyltransferase, ... | 著者 | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | 登録日 | 2016-11-27 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.109 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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7LLE
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7LM0
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![BU of 7lm0 by Molmil](/molmil-images/mine/7lm0) | Crystal structure of GenB3 in complex with PLP | 分子名称: | C-6' aminotransferase, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE | 著者 | Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | 登録日 | 2021-02-04 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin Acs Catalysis, 2021
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7LLD
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![BU of 7lld by Molmil](/molmil-images/mine/7lld) | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin | 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-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-L-threo-hexopyranoside, C-6' aminotransferase, ... | 著者 | Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | 登録日 | 2021-02-03 | 公開日 | 2021-09-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin Acs Catalysis, 2021
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3KX8
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![BU of 3kx8 by Molmil](/molmil-images/mine/3kx8) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK | 分子名称: | fluoroacetyl-CoA thioesterase | 著者 | Chirgadze, D.Y, Dias, M.V.B, Huang, F, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | 登録日 | 2009-12-02 | 公開日 | 2010-04-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3N59
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![BU of 3n59 by Molmil](/molmil-images/mine/3n59) | Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate | 分子名称: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | 著者 | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2010-05-24 | 公開日 | 2010-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N8K
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![BU of 3n8k by Molmil](/molmil-images/mine/3n8k) | Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid | 分子名称: | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | 著者 | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2010-05-28 | 公開日 | 2010-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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6NNW
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![BU of 6nnw by Molmil](/molmil-images/mine/6nnw) | Tsn15 in complex with substrate intermediate | 分子名称: | (3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione, PHOSPHATE ION, PROPANOIC ACID, ... | 著者 | Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B. | 登録日 | 2019-01-15 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis Nat Catal, 2019
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6NNC
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![BU of 6nnc by Molmil](/molmil-images/mine/6nnc) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | 分子名称: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, 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 (1.8 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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6NOI
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![BU of 6noi by Molmil](/molmil-images/mine/6noi) | Crystal structure of Tsn15 in apo form | 分子名称: | DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TRIETHYLENE GLYCOL, ... | 著者 | Little, R, Paiva, F.C.R, Dias, M.V.B, Leadlay, P. | 登録日 | 2019-01-16 | 公開日 | 2019-10-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis Nat Catal, 2019
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6NNH
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![BU of 6nnh by Molmil](/molmil-images/mine/6nnh) | Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil | 分子名称: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B. | 登録日 | 2019-01-15 | 公開日 | 2019-07-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.523 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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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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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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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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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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