4JEM
| Crystal structure of MilB complexed with cytidine 5'-monophosphate | Descriptor: | CMP/hydroxymethyl CMP hydrolase, CYTIDINE-5'-MONOPHOSPHATE | Authors: | Sikowitz, M.D, Cooper, L.E, Begley, T.P, Kaminski, P.A, Ealick, S.E. | Deposit date: | 2013-02-27 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Reversal of the substrate specificity of CMP N-glycosidase to dCMP. Biochemistry, 52, 2013
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4KYS
| Clostridium botulinum thiaminase I in complex with thiamin | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, CITRIC ACID, MAGNESIUM ION, ... | Authors: | Sikowitz, M.D, Shome, B, Zhang, Y, Begley, T.P, Ealick, S.E. | Deposit date: | 2013-05-29 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure of a Clostridium botulinum C143S Thiaminase I/Thiamin Complex Reveals Active Site Architecture. Biochemistry, 52, 2013
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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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3IX1
| Periplasmic N-formyl-4-amino-5-aminomethyl-2-methylpyrimidine binding protein from Bacillus halodurans | Descriptor: | N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide, N-formyl-4-amino-5-aminomethyl-2-methylpyrimidine binding protein | Authors: | Bale, S, Rajashankar, K.R, Perry, K, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-09-03 | Release date: | 2010-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | HMP Binding Protein ThiY and HMP-P Synthase THI5 Are Structural Homologues. Biochemistry, 49, 2010
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3RI6
| A Novel Mechanism of Sulfur Transfer Catalyzed by O-Acetylhomoserine Sulfhydrylase in Methionine Biosynthetic Pathway of Wolinella succinogenes | Descriptor: | O-ACETYLHOMOSERINE SULFHYDRYLASE | Authors: | Tran, T.H, Krishnamoorthy, K, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-04-13 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel mechanism of sulfur transfer catalyzed by O-acetylhomoserine sulfhydrylase in the methionine-biosynthetic pathway of Wolinella succinogenes. Acta Crystallogr.,Sect.D, 67, 2011
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3NM3
| The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, THIAMIN PHOSPHATE, ... | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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3NM1
| The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, MAGNESIUM ION, ... | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.211 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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3NL3
| The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | MAGNESIUM ION, THIAMIN PHOSPHATE, Thiamine biosynthetic bifunctional enzyme | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.007 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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3O16
| Crystal Structure of Bacillus subtilis Thiamin Phosphate Synthase K159A | Descriptor: | Thiamine-phosphate pyrophosphorylase | Authors: | McCulloch, K.M, Hanes, J.W, Abdelwahed, S, Mahanta, N, Hazra, A, Ishida, K, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-07-20 | Release date: | 2011-07-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Kinetic Characterization of Bacillus subtilis Thiamin
Phosphate Synthase with a Carboxylated Thiazole Phosphate to be published
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3O63
| Crystal Structure of Thiamin Phosphate Synthase from Mycobacterium tuberculosis | Descriptor: | PHOSPHATE ION, Probable thiamine-phosphate pyrophosphorylase | Authors: | McCulloch, K.M, Ramamoorthy, D, Ishida, K, Guida, W.C, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-07-28 | Release date: | 2011-07-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure and Identification of Potential Inhibitor Compounds for Mycobacterium tuberculosis Thiamin Phosphate Synthase to be published
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3O15
| Crystal Structure of Bacillus subtilis Thiamin Phosphate Synthase Complexed with a Carboxylated Thiazole Phosphate | Descriptor: | 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, PYROPHOSPHATE 2-, ... | Authors: | McCulloch, K.M, Hanes, J.W, Abdelwahed, S, Mahanta, N, Hazra, A, Ishida, K, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-07-20 | Release date: | 2011-07-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure and Kinetic Characterization of Bacillus subtilis
Thiamin Phosphate Synthase with a Carboxylated Thiazole Phosphate to be published
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3PKV
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3PKW
| Crystal Structure of Toxoflavin Lyase (TflA) bound to Mn(II) | Descriptor: | MANGANESE (II) ION, Toxoflavin lyase (TflA) | Authors: | Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-11-12 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toxoflavin lyase requires a novel 1-his-2-carboxylate facial triad . Biochemistry, 50, 2011
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3NL2
| The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | Thiamine biosynthetic bifunctional enzyme | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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3PKX
| Crystal Structure of Toxoflavin Lyase (TflA) bound to Mn(II) and Toxoflavin | Descriptor: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, MANGANESE (II) ION, Toxoflavin lyase (TflA) | Authors: | Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-11-12 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Toxoflavin lyase requires a novel 1-his-2-carboxylate facial triad . Biochemistry, 50, 2011
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3NL5
| The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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3QH2
| Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P | Descriptor: | 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, Regulatory protein tenI, SULFATE ION | Authors: | Han, Y, Zhang, Y, Hazra, A, Chatterjee, A, Lai, R, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-01-25 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase. J.Am.Chem.Soc., 133, 2011
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3NL6
| The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, THIAMIN PHOSPHATE, ... | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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3RM5
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3RP7
| Crystal Structure of Klebsiella pneumoniae HpxO complexed with FAD and uric acid | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, URIC ACID, flavoprotein monooxygenase | Authors: | Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-04-26 | Release date: | 2012-05-16 | Last modified: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.042 Å) | Cite: | Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae. Biochemistry, 52, 2013
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3RP6
| Crystal Structure of Klebsiella pneumoniae HpxO complexed with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, flavoprotein monooxygenase | Authors: | Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-04-26 | Release date: | 2012-05-16 | Last modified: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae. Biochemistry, 52, 2013
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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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4GIL
| Crystal Structure of Pseudouridine Monophosphate Glycosidase/Linear Pseudouridine 5'-Phosphate Adduct | Descriptor: | MANGANESE (II) ION, Pseudouridine-5'-phosphate glycosidase, pseudouridine 5'-phosphate, ... | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | Deposit date: | 2012-08-08 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.539 Å) | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism. Biochemistry, 51, 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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4GIJ
| Crystal Structure of Pseudouridine Monophosphate Glycosidase Complexed with Sulfate | Descriptor: | MANGANESE (II) ION, Pseudouridine-5'-phosphate glycosidase, SULFATE ION | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | Deposit date: | 2012-08-08 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism. Biochemistry, 51, 2012
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