5KTT
 
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5WAN
 | | Crystal Structure of a flavoenzyme RutA in the pyrimidine catabolic pathway | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Pyrimidine monooxygenase RutA, ... | | Authors: | Zhang, Y, Mukherjee, T, Abdelwahed, S, Begley, T.P, Ealick, S.E. | | Deposit date: | 2017-06-26 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Catalysis of a flavoenzyme-mediated amide hydrolysis.
J. Am. Chem. Soc., 132, 2010
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7NHE
 | | Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex | | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate | | Authors: | Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I. | | Deposit date: | 2021-02-10 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
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7NHF
 | | Crystal structure of Arabidopsis thaliana Pdx1K166R | | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3 | | Authors: | Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I. | | Deposit date: | 2021-02-10 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
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4Y4N
 | | Thiazole synthase Thi4 from Methanococcus igneus | | Descriptor: | 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (II) ION, Putative ribose 1,5-bisphosphate isomerase | | Authors: | Zhang, X, Ealick, S.E. | | Deposit date: | 2015-02-10 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
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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
 | | 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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4Y4M
 | | Thiazole synthase Thi4 from Methanocaldococcus jannaschii | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Putative ribose 1,5-bisphosphate isomerase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate | | Authors: | Zhang, X, Ealick, S.E. | | Deposit date: | 2015-02-10 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
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4Y4L
 | | Crystal structure of yeast Thi4-C205S | | Descriptor: | (2E)-2-[(2S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid, Thiamine thiazole synthase | | Authors: | Zhang, X, Ealick, S.E. | | Deposit date: | 2015-02-10 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
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6U44
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6U45
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4ESX
 | | Crystal structure of C. albicans Thi5 complexed with PLP | | Descriptor: | Pyrimidine biosynthesis enzyme THI13 | | Authors: | Huang, S, Fenwick, M.K, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-04-23 | | Release date: | 2012-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
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4ESW
 | | Crystal structure of C. albicans Thi5 H66G mutant | | Descriptor: | CITRIC ACID, Pyrimidine biosynthesis enzyme THI13 | | Authors: | Fenwick, M.K, Huang, S, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-04-23 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
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6Q2P
 | | Crystal structure of mouse viperin bound to cytidine triphosphate and S-adenosylhomocysteine | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | Deposit date: | 2019-08-08 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.452 Å) | | Cite: | Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
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6Q2Q
 | | Crystal structure of mouse viperin bound to uridine triphosphate and S-adenosylhomocysteine | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | Deposit date: | 2019-08-08 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
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4WOR
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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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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
 | | 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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6BXN
 | | Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM | | Descriptor: | Diphthamide biosynthesis enzyme Dph2, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE | | Authors: | Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.079 Å) | | Cite: | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
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6BXL
 | | Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and SAM | | Descriptor: | 2-(3-amino-3-carboxypropyl)histidine synthase, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE | | Authors: | Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
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6Q2E
 | | Crystal structure of Methanobrevibacter smithii Dph2 bound to 5'-methylthioadenosine | | Descriptor: | 2-(3-amino-3-carboxypropyl)histidine synthase, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | | Authors: | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | Deposit date: | 2019-08-07 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.768 Å) | | Cite: | The Crystal Structure of Dph2 in Complex with Elongation Factor 2 Reveals the Structural Basis for the First Step of Diphthamide Biosynthesis.
Biochemistry, 58, 2019
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6BXK
 | | Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and MTA | | Descriptor: | 2-(3-amino-3-carboxypropyl)histidine synthase, 5'-DEOXY-5'-METHYLTHIOADENOSINE, IRON/SULFUR CLUSTER, ... | | Authors: | Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.347 Å) | | Cite: | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
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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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6BXM
 | | Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM/cleaved SAM | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALPHA-AMINOBUTYRIC ACID, Diphthamide biosynthesis enzyme Dph2, ... | | Authors: | Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
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