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 | Descriptor: | COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2019-01-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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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8COP
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8COQ
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8COX
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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 | Descriptor: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | Deposit date: | 2023-03-01 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Currently unpublished To Be Published
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8CQA
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8CQ8
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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 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine, COBALT (II) ION, ... | Authors: | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | Deposit date: | 2023-03-04 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
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6UNW
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![BU of 6unw by Molmil](/molmil-images/mine/6unw) | Epoxide hydrolase from an endophytic Streptomyces | Descriptor: | CACODYLATE ION, CHLORIDE ION, Soluble epoxide hydrolase | Authors: | Wilson, C, dos Santos, J.C, Dias, M.V.B. | Deposit date: | 2019-10-13 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity. Acta Crystallogr D Struct Biol, 76, 2020
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6UI5
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6VS9
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6VPD
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![BU of 6vpd by Molmil](/molmil-images/mine/6vpd) | Crystal structure of Trgpx in apo form | Descriptor: | Glutathione peroxidase | Authors: | Adriani, P.P, De Oliveira, G.S, Paiva, F.C.R, Dias, M.V.B, Chambergo, F.S. | Deposit date: | 2020-02-03 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structural and functional characterization of the glutathione peroxidase-like thioredoxin peroxidase from the fungus Trichoderma reesei. Int.J.Biol.Macromol., 167, 2020
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6VV7
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![BU of 6vv7 by Molmil](/molmil-images/mine/6vv7) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VSE
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6VV8
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![BU of 6vv8 by Molmil](/molmil-images/mine/6vv8) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 | Descriptor: | 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.683 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VS5
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![BU of 6vs5 by Molmil](/molmil-images/mine/6vs5) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) | Descriptor: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. | Deposit date: | 2020-02-10 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.758 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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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) | Descriptor: | 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, ... | Authors: | Tyrakis, P, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 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 | Descriptor: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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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) | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2020-02-11 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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2M1J
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![BU of 2m1j by Molmil](/molmil-images/mine/2m1j) | Ovine Doppel Signal peptide (1-30) | Descriptor: | Prion-like protein doppel | Authors: | Pimenta, J, Viegas, A, Sardinha, J, Santos, A, Cantante, C, Dias, F.M.V, Soares, R, Cabrita, E.J, Fontes, C.M.G.A, Prates, J.A.M, Pereira, R.M.L.N. | Deposit date: | 2012-11-28 | Release date: | 2013-10-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR solution structure and SRP54M predicted interaction of the N-terminal sequence (1-30) of the ovine Doppel protein. Peptides, 49C, 2013
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5TYQ
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![BU of 5tyq by Molmil](/molmil-images/mine/5tyq) | Crystal structure of a holoenzyme methyltransferase involved in the biosynthesis of gentamicin | Descriptor: | MAGNESIUM ION, Putative gentamicin methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | Deposit date: | 2016-11-21 | Release date: | 2017-11-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.163 Å) | Cite: | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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5U0N
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![BU of 5u0n by Molmil](/molmil-images/mine/5u0n) | Crystal structure of a methyltransferase in complex with the substrate involved in the biosynthesis of gentamicin | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ... | Authors: | Bury, P, Huang, F, Li, S, Sun, Y, Leadlay, P, Dias, M.V.B. | Deposit date: | 2016-11-25 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.115 Å) | Cite: | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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7KEM
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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 | Descriptor: | (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, ... | Authors: | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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