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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3S0C
 | | Transaldolase wt of Thermoplasma acidophilum | | Descriptor: | GLYCEROL, Probable transaldolase | | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | | Deposit date: | 2011-05-13 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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3S1W
 | | Transaldolase variant Lys86Ala from Thermoplasma acidophilum in complex with glycerol and citrate | | Descriptor: | CITRATE ANION, GLYCEROL, 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 (1.8 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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3S1V
 | | Transaldolase from Thermoplasma acidophilum in complex with D-fructose 6-phosphate Schiff-base intermediate | | Descriptor: | FRUCTOSE -6-PHOSPHATE, GLYCEROL, 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 (1.8 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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5NPA
 | | Solution structure of Drosophila melanogaster Loquacious dsRBD2 | | Descriptor: | Loquacious | | Authors: | Tants, J.-N, Fesser, S, Kern, T, Stehle, R, Geerlof, A, Wunderlich, 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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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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8PZ3
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8Q00
 | | TssM-Ub-PA complex - A USP-like DUB from B. pseudomallei (193-430) reacted with Ub-PA | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Polyubiquitin-B, ... | | Authors: | Uthoff, M, Hermanns, T, Hofmann, K, Baumann, U. | | Deposit date: | 2023-07-27 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The structural basis for deubiquitination by the fingerless USP-type effector TssM.
Life Sci Alliance, 7, 2024
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2D1F
 | | Structure of Mycobacterium tuberculosis threonine synthase | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Threonine synthase | | Authors: | Covarrubias, A.S, Bergfors, T, Mannerstedt, K, Oscarson, S, Jones, T.A, Mowbray, S.L, Hogbom, M. | | Deposit date: | 2005-08-20 | | Release date: | 2006-09-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural, biochemical, and in vivo investigations of the threonine synthase from Mycobacterium tuberculosis.
J.Mol.Biol., 381, 2008
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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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6EI1
 | | Crystal structure of the covalent complex between deubiquitinase ZUFSP (ZUP1) and Ubiquitin-PA | | Descriptor: | GLYCEROL, MALONATE ION, Polyubiquitin-B, ... | | Authors: | Pichlo, C, Baumann, U, Hofmann, K, Hermanns, T. | | Deposit date: | 2017-09-16 | | Release date: | 2018-03-07 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.732 Å) | | Cite: | A family of unconventional deubiquitinases with modular chain specificity determinants.
Nat Commun, 9, 2018
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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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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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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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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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4AE4
 | | The UBAP1 subunit of ESCRT-I interacts with ubiquitin via a novel SOUBA domain | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, POTASSIUM ION, ... | | Authors: | Agromayor, M, Soler, N, Caballe, A, Kueck, T, Freund, S.M, Allen, M.D, Bycroft, M, Perisic, O, Ye, Y, McDonald, B, Scheel, H, Hofmann, K, Neil, S.J.D, Martin-Serrano, J, Williams, R.L. | | Deposit date: | 2012-01-06 | | Release date: | 2012-03-21 | | Last modified: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The UBAP1 subunit of ESCRT-I interacts with ubiquitin via a SOUBA domain.
Structure, 20, 2012
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4AXA
 | | Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol | | Descriptor: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | | Authors: | Davies, T.G, Yap, T.A, Walton, M.I, Grimshaw, K.M, tePoele, R.H, Eve, P.D, Valenti, M.R, deHavenBrandon, A.K, Martins, V, Zetterlund, A, Heaton, S.P, Heinzmann, K, Jones, P.S, Feltell, R.E, Reule, M, Woodhead, S.J, Lyons, J.F, Raynaud, F.I, Eccles, S.A, Workman, P, Thompson, N.T, Garrett, M.D. | | Deposit date: | 2012-06-12 | | Release date: | 2012-07-25 | | Last modified: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | At13148 is a Novel, Oral Multi-Agc Kinase Inhibitor with Potent Pharmacodynamic and Antitumor Activity.
Clin.Cancer Res., 18, 2012
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3ZGD
 | | crystal structure of a KEAP1 mutant | | Descriptor: | ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SODIUM ION | | Authors: | Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H. | | Deposit date: | 2012-12-17 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments.
Acta Crystallogr.,Sect.F, 69, 2013
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3ZGC
 | | crystal structure of the KEAP1-NEH2 complex | | Descriptor: | ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, NUCLEAR FACTOR ERYTHROID 2-RELATED FACTOR 2 | | Authors: | Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H. | | Deposit date: | 2012-12-17 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments.
Acta Crystallogr.,Sect.F, 69, 2013
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6FFL
 | | Maltose/maltodextrin-binding domain MalE from Bdellovibrio bacteriovorus bound to maltotriose | | Descriptor: | Maltose/maltodextrin transport permease homologue, PLATINUM (II) ION, SULFATE ION, ... | | Authors: | Licht, A, Werther, T, Bommer, M, Neumann, K, Schneider, E. | | Deposit date: | 2018-01-08 | | Release date: | 2018-01-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.707 Å) | | Cite: | Structural and functional characterization of a maltose/maltodextrin ABC transporter comprising a single solute binding domain (MalE) fused to the transmembrane subunit MalF.
Res. Microbiol., 170, 2018
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3L9H
 | | X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085 | | Descriptor: | 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11 | | Authors: | Knoechel, T. | | Deposit date: | 2010-01-05 | | Release date: | 2010-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5.
Bioorg.Med.Chem.Lett., 20, 2010
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