6V42
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6V43
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![BU of 6v43 by Molmil](/molmil-images/mine/6v43) | Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism | Descriptor: | FAD/FMN-containing dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, pteridine-2,4(1H,3H)-dione | Authors: | Begley, T.P, Adak, S, Zhao, B, Li, P. | Deposit date: | 2019-11-27 | Release date: | 2020-12-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A novel flavoenzyme catalyzed Baeyer-Villiger type rearrangement in bacterial folic acid catabolic pathway To Be Published
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3C9R
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![BU of 3c9r by Molmil](/molmil-images/mine/3c9r) | AaThiL complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Thiamine monophosphate kinase | Authors: | McCulloch, K.M, Kinsland, C, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-02-18 | Release date: | 2008-03-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of thiamin monophosphate kinase in complex with substrates and products. Biochemistry, 47, 2008
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6O9A
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![BU of 6o9a by Molmil](/molmil-images/mine/6o9a) | Crystal structure of MqnA complexed with 3-hydroxybenzoic acid | Descriptor: | 3-HYDROXYBENZOIC ACID, ACETATE ION, Chorismate dehydratase | Authors: | Hicks, K.A, Mahanta, N, Naseem, S, Fedoseyenko, D, Begley, T.P, Ealick, S.E. | Deposit date: | 2019-03-13 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.326 Å) | Cite: | Menaquinone Biosynthesis: Biochemical and Structural Studies of Chorismate Dehydratase. Biochemistry, 58, 2019
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1C3Q
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![BU of 1c3q by Molmil](/molmil-images/mine/1c3q) | CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, CHLORIDE ION, Hydroxyethylthiazole kinase | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | Deposit date: | 1999-07-28 | Release date: | 1999-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
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3KVR
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![BU of 3kvr by Molmil](/molmil-images/mine/3kvr) | Trapping of an oxocarbenium ion intermediate in UP crystals | Descriptor: | 2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol, 5-FLUOROURACIL, SULFATE ION, ... | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Glycal formation in crystals of uridine phosphorylase. Biochemistry, 49, 2010
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3KVV
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![BU of 3kvv by Molmil](/molmil-images/mine/3kvv) | Trapping of an oxocarbenium ion intermediate in UP crystals | Descriptor: | 1,4-anhydro-D-erythro-pent-1-enitol, 5-FLUOROURACIL, SULFATE ION, ... | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Glycal formation in crystals of uridine phosphorylase. Biochemistry, 49, 2010
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5UFM
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![BU of 5ufm by Molmil](/molmil-images/mine/5ufm) | Crystal structure of Burkholderia thailandensis 1,6-didemethyltoxoflavin-N1-methyltransferase with bound 1,6-didemethyltoxoflavin and S-adenosylhomocysteine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Fenwick, M.K, Ealick, S.E, Almabruk, K.H, Begley, T.P, Philmus, B. | Deposit date: | 2017-01-05 | Release date: | 2017-12-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Biochemical Characterization and Structural Basis of Reactivity and Regioselectivity Differences between Burkholderia thailandensis and Burkholderia glumae 1,6-Didesmethyltoxoflavin N-Methyltransferase. Biochemistry, 56, 2017
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5UFN
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![BU of 5ufn by Molmil](/molmil-images/mine/5ufn) | Crystal structure of Burkholderia thailandensis 1,6-didemethyltoxoflavin-N1-methyltransferase with bound S-adenosylhomocysteine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Fenwick, M.K, Ealick, S.E, Almabruk, K.H, Begley, T.P, Philmus, B. | Deposit date: | 2017-01-05 | Release date: | 2017-12-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Biochemical Characterization and Structural Basis of Reactivity and Regioselectivity Differences between Burkholderia thailandensis and Burkholderia glumae 1,6-Didesmethyltoxoflavin N-Methyltransferase. Biochemistry, 56, 2017
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2THI
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2ISS
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![BU of 2iss by Molmil](/molmil-images/mine/2iss) | Structure of the PLP synthase Holoenzyme from Thermotoga maritima | Descriptor: | Glutamine amidotransferase subunit pdxT, PHOSPHATE ION, Pyridoxal biosynthesis lyase pdxS, ... | Authors: | Zein, F, Zhang, Y, Kang, Y.N, Burns, K, Begley, T.P, Ealick, S.E. | Deposit date: | 2006-10-18 | Release date: | 2007-01-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insights into the Mechanism of the PLP Synthase Holoenzyme from Thermotoga maritima Biochemistry, 45, 2006
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5LNS
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![BU of 5lns by Molmil](/molmil-images/mine/5lns) | Crystal structure of Arabidopsis thaliana Pdx1-R5P complex | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, RIBULOSE-5-PHOSPHATE | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5LNU
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![BU of 5lnu by Molmil](/molmil-images/mine/5lnu) | Crystal structure of Arabidopsis thaliana Pdx1-I320 complex | Descriptor: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5LNW
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![BU of 5lnw by Molmil](/molmil-images/mine/5lnw) | Crystal structure of Arabidopsis thaliana Pdx1-I320-G3P complex | Descriptor: | 5-O-phosphono-beta-D-ribofuranose, GLYCEROL, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5LNV
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![BU of 5lnv by Molmil](/molmil-images/mine/5lnv) | Crystal structure of Arabidopsis thaliana Pdx1-I320 complex from multiple crystals | Descriptor: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5LNT
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![BU of 5lnt by Molmil](/molmil-images/mine/5lnt) | Crystal structure of Arabidopsis thaliana Pdx1K166R-preI320 complex | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.1, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5LNR
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![BU of 5lnr by Molmil](/molmil-images/mine/5lnr) | Crystal structure of Arabidopsis thaliana Pdx1-PLP complex | Descriptor: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal 5'-phosphate synthase subunit PDX1.3 | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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6ASL
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6ASK
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2TPS
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![BU of 2tps by Molmil](/molmil-images/mine/2tps) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | MAGNESIUM ION, PROTEIN (THIAMIN PHOSPHATE SYNTHASE), PYROPHOSPHATE 2-, ... | Authors: | Chiu, H.-J, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 1999-03-09 | Release date: | 1999-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of thiamin phosphate synthase from Bacillus subtilis at 1.25 A resolution. Biochemistry, 38, 1999
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1G4P
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![BU of 1g4p by Molmil](/molmil-images/mine/1g4p) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE, MAGNESIUM ION, THIAMIN PHOSPHATE SYNTHASE | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-10-27 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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1G6C
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![BU of 1g6c by Molmil](/molmil-images/mine/1g6c) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ... | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-11-03 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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1G4T
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![BU of 1g4t by Molmil](/molmil-images/mine/1g4t) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-10-28 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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2NOX
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![BU of 2nox by Molmil](/molmil-images/mine/2nox) | Crystal structure of tryptophan 2,3-dioxygenase from Ralstonia metallidurans | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | Authors: | Zhang, Y, Kang, S.A, Mukherjee, T, Bale, S, Crane, B.R, Begley, T.P, Ealick, S.E. | Deposit date: | 2006-10-26 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and mechanism of tryptophan 2,3-dioxygenase, a heme enzyme involved in tryptophan catabolism and in quinolinate biosynthesis. Biochemistry, 46, 2007
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2QCX
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![BU of 2qcx by Molmil](/molmil-images/mine/2qcx) | Crystal structure of Bacillus subtilis TenA Y112F mutant complexed with formyl aminomethyl pyrimidine | Descriptor: | N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE, Transcriptional activator tenA | Authors: | Zhang, Y, Jenkins, A.L, Begley, T.P, Ealick, S.E. | Deposit date: | 2007-06-19 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutagenesis studies on TenA: A thiamin salvage enzyme from Bacillus subtilis Bioorg.Chem., 36, 2008
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