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PDB: 95 件

8COP
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BU of 8cop by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide
分子名称: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Kirkman, T.J, Dias, M.V.B.
登録日2023-02-28
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Expansion of a series of pyrimidine derivatives utilising fragment-based merging showcasing anleads to increased affinity with to Mycobacterium tuberculosis dihydrofolate reductase
To Be Published
8COQ
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BU of 8coq by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine
分子名称: 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
著者Kirkman, T.J, Dias, M.V.B.
登録日2023-02-28
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Currently unpublished
To Be Published
8COX
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BU of 8cox by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(2-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide
分子名称: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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 (2.1 Å)
主引用文献Currently unpublished
To Be Published
8COW
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BU of 8cow by Molmil
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主引用文献Currently unpublished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
7RU7
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BU of 7ru7 by Molmil
Crystal structure of BtrK, a decarboxylase involved in butirosin biosynthesis
分子名称: DI(HYDROXYETHYL)ETHER, L-glutamyl-[BtrI acyl-carrier protein] decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Arenas, L.A.R, Paiva, F.C.R, Huang, F, Leadlay, P, Dias, M.V.B.
登録日2021-08-16
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis
J.Mol.Struct., 1267, 2022
5U19
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BU of 5u19 by Molmil
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
5U1I
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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
5URO
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BU of 5uro by Molmil
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
5U0T
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BU of 5u0t by Molmil
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
5U18
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BU of 5u18 by Molmil
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
5U1E
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BU of 5u1e by Molmil
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
5TYQ
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BU of 5tyq by Molmil
Crystal structure of a holoenzyme methyltransferase involved in the biosynthesis of gentamicin
分子名称: MAGNESIUM ION, Putative gentamicin methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Bury, P, Huang, F, Leadlay, P, Dias, M.V.B.
登録日2016-11-21
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.163 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
5U0N
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BU of 5u0n by Molmil
Crystal structure of a methyltransferase in complex with the substrate involved in the biosynthesis of gentamicin
分子名称: (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, ...
著者Bury, P, Huang, F, Li, S, Sun, Y, Leadlay, P, Dias, M.V.B.
登録日2016-11-25
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.115 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
5U4T
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BU of 5u4t by Molmil
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
6NNC
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BU of 6nnc by Molmil
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
6NOI
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BU of 6noi by Molmil
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
最終更新日2024-10-30
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
6NNW
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BU of 6nnw by Molmil
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
6NNH
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BU of 6nnh by Molmil
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
6NOR
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BU of 6nor by Molmil
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
6NNI
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BU of 6nni by Molmil
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
6NND
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BU of 6nnd by Molmil
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
6NNE
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BU of 6nne by Molmil
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
6UI5
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BU of 6ui5 by Molmil
Tmn9 in complex with cofactor FAD
分子名称: 2-polyprenyl-6-methoxyphenol hydroxylase-like FAD-dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
著者Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B.
登録日2019-09-30
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Tmn9 in complex with cofactor FAD
To Be Published
6VS9
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BU of 6vs9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11)
分子名称: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.842 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
6VPD
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BU of 6vpd by Molmil
Crystal structure of Trgpx in apo form
分子名称: Glutathione peroxidase
著者Adriani, P.P, De Oliveira, G.S, Paiva, F.C.R, Dias, M.V.B, Chambergo, F.S.
登録日2020-02-03
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献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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件を2024-10-30に公開中

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