5NPG
| Solution structure of Drosophila melanogaster Loquacious dsRBD1 | Descriptor: | Loquacious, isoform F | Authors: | Tants, J.-N, Fesser, S, Kern, T, Stehle, R, Geerlof, A, Wunderlich, C, Hartlmuller, C, Boettcher, R, Kunzelmann, S, Lange, O, Kreutz, C, Foerstemann, K, Sattler, M. | Deposit date: | 2017-04-16 | Release date: | 2017-10-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD/Dcr-2 complex in RNA interference. Nucleic Acids Res., 45, 2017
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4FEE
| High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal B | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin. Proc.Natl.Acad.Sci.USA, 109, 2012
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4FEG
| High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin. Proc.Natl.Acad.Sci.USA, 109, 2012
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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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7ZB7
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Y54F at 1.63 A resolution | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | Deposit date: | 2022-03-23 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design. Nat Commun, 15, 2024
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7ZB6
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant C44S at 2.12 A resolution | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | Deposit date: | 2022-03-23 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design. Nat Commun, 15, 2024
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7ZB8
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant K61A at 2.48 A resolution | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | Deposit date: | 2022-03-23 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design. Nat Commun, 15, 2024
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1S2H
| The Mad2 spindle checkpoint protein possesses two distinct natively folded states | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2A | Authors: | Luo, X, Tang, Z, Xia, G, Wassmann, K, Matsumoto, T, Rizo, J, Yu, H. | Deposit date: | 2004-01-08 | Release date: | 2004-03-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The Mad2 spindle checkpoint protein has two distinct natively folded states. Nat.Struct.Mol.Biol., 11, 2004
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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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2EZ9
| Pyruvate oxidase variant F479W in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | Deposit date: | 2005-11-10 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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2EZ8
| Pyruvate oxidase variant F479W in complex with reaction intermediate 2-lactyl-thiamin diphosphate | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | Deposit date: | 2005-11-10 | Release date: | 2006-04-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.963 Å) | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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2EZT
| Pyruvate oxidase variant F479W in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | Deposit date: | 2005-11-10 | Release date: | 2006-04-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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4Q3P
| Crystal structure of Schistosoma mansoni arginase | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q3V
| Crystal structure of Schistosoma mansoni arginase in complex with inhibitor BEC | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q41
| Crystal structure of Schistosoma mansoni arginase in complex with L-lysine | Descriptor: | Arginase, GLYCEROL, LYSINE, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q3Q
| Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABH | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase, GLYCEROL, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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2EZU
| Pyruvate oxidase variant F479W in complex with reaction intermediate 2-acetyl-thiamin diphosphate | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | Deposit date: | 2005-11-10 | Release date: | 2006-04-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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4Q3S
| Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHPE | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q3T
| Crystal structure of Schistosoma mansoni arginase in complex with inhibitor NOHA | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.142 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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2EZ4
| Pyruvate oxidase variant F479W | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | Deposit date: | 2005-11-10 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography. Nat.Chem.Biol., 2, 2006
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4Q3R
| Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHDP | Descriptor: | (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid, Arginase, CESIUM ION, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.169 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q40
| Crystal structure of Schistosoma mansoni arginase in complex with L-valine | Descriptor: | Arginase, GLYCEROL, IMIDAZOLE, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q3U
| Crystal structure of Schistosoma mansoni arginase in complex with inhibitor nor-NOHA | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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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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4Q42
| Crystal structure of Schistosoma mansoni arginase in complex with L-ornithine | Descriptor: | Arginase, GLYCEROL, L-ornithine, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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