7BBX
| Neisseria gonorrhoeae transaldolase, variant K8A | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase | Authors: | Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K. | Deposit date: | 2020-12-18 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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6RJC
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6RJB
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6TJ9
| Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine and substrate xylulose 5-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 5-O-phosphono-D-xylulose, ... | Authors: | Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2019-11-25 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine. Nat.Chem.Biol., 16, 2020
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6TJ8
| Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine diphosphate | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, ... | Authors: | Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2019-11-25 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.921 Å) | Cite: | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine. Nat.Chem.Biol., 16, 2020
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2R8P
| Transketolase from E. coli in complex with substrate D-fructose-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, ... | Authors: | Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K. | Deposit date: | 2007-09-11 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate. Biochemistry, 46, 2007
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2R5N
| Crystal structure of transketolase from Escherichia coli in noncovalent complex with acceptor aldose ribose 5-phosphate | Descriptor: | 1,2-ETHANEDIOL, 5-O-phosphono-beta-D-ribofuranose, CALCIUM ION, ... | Authors: | Parthier, C, Asztalos, P, Wille, G, Tittmann, K. | Deposit date: | 2007-09-04 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strain and Near Attack Conformers in Enzymic Thiamin Catalysis: X-ray Crystallographic Snapshots of Bacterial Transketolase in Covalent Complex with Donor Ketoses Xylulose 5-phosphate and Fructose 6-phosphate, and in Noncovalent Complex with Acceptor Aldose Ribose 5-phosphate. Biochemistry, 46, 2007
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2R8O
| Transketolase from E. coli in complex with substrate D-xylulose-5-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol, CALCIUM ION, ... | Authors: | Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K. | Deposit date: | 2007-09-11 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate. Biochemistry, 46, 2007
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4KGD
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4KXU
| Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, D-SORBITOL-6-PHOSPHATE, MAGNESIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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4KXX
| Human transketolase in covalent complex with donor ketose D-sedoheptulose-7-phosphate | Descriptor: | (2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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4KXV
| Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, D-XYLITOL-5-PHOSPHATE, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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4KXY
| Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate, CALCIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Erixon, K.M, Leeper, F, Kluger, R, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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4KXW
| Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 2 | Descriptor: | 1,2-ETHANEDIOL, D-XYLITOL-5-PHOSPHATE, MAGNESIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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7ODP
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7ODQ
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7ODO
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7OEY
| Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution | Descriptor: | GLYCEROL, SODIUM ION, SUCCINIC ACID, ... | Authors: | Rabe von Pappenheim, F, Wensien, M, Tittmann, K. | Deposit date: | 2021-05-04 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Widespread occurrence of covalent lysine-cysteine redox switches in proteins. Nat.Chem.Biol., 18, 2022
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7OQK
| Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 15 minutes soaking | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2021-06-03 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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7OQI
| Human OMPD-domain of UMPS in complex with substrate OMP at 1.15 Angstrom resolution, 10 minutes soaking | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2021-06-03 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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7OQN
| Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 30 minutes soaking | Descriptor: | GLYCEROL, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ... | Authors: | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2021-06-03 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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7OQF
| Human OMPD-domain of UMPS in complex with OMP at 1.05 Angstrom resolution, 5 minutes soaking | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2021-06-03 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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7OQM
| Human OMPD-domain of UMPS in complex with substrate OMP at 1.05 Angstroms resolution, 20 minutes soaking | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2021-06-03 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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3S1U
| Transaldolase from Thermoplasma acidophilum in complex with D-erythrose 4-phosphate | Descriptor: | CHLORIDE ION, ERYTHOSE-4-PHOSPHATE, Probable transaldolase | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | Deposit date: | 2011-05-16 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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3S1X
| Transaldolase from Thermoplasma acidophilum in complex with D-sedoheptulose 7-phosphate Schiff-base intermediate | Descriptor: | D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, Probable transaldolase | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | Deposit date: | 2011-05-16 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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