5LOG
| Crystal Structure of SafC from Myxococcus xanthus bound to SAM | Descriptor: | CHLORIDE ION, L-DOPAMINE, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Netzer, J, Einsle, O. | Deposit date: | 2016-08-09 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Functional and structural characterisation of a bacterial O-methyltransferase and factors determining regioselectivity. FEBS Lett., 591, 2017
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5LCD
| Structure of Polyphosphate Kinase from Meiothermus ruber bound to AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-06-21 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5LD1
| Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-06-23 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5MAQ
| Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ADP and PPi | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PYROPHOSPHATE, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-11-04 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4AA5
| P38ALPHA MAP KINASE BOUND TO CMPD 33 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4AA0
| P38ALPHA MAP KINASE BOUND TO CMPD 2 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4A9Y
| P38ALPHA MAP KINASE BOUND TO CMPD 8 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-29 | Release date: | 2012-05-16 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4AAC
| P38ALPHA MAP KINASE BOUND TO CMPD 29 | Descriptor: | CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-12-01 | Release date: | 2012-05-16 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4AA4
| P38ALPHA MAP KINASE BOUND TO CMPD 22 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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2BAL
| p38alpha MAP kinase bound to pyrazoloamine | Descriptor: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase. Biochemistry, 44, 2005
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2BAJ
| p38alpha bound to pyrazolourea | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14 | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase Biochemistry, 44, 2005
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2BAQ
| p38alpha bound to Ro3201195 | Descriptor: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | Authors: | Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase. Biochemistry, 44, 2005
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2BAK
| p38alpha MAP kinase bound to MPAQ | Descriptor: | Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | Authors: | Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase Biochemistry, 44, 2005
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7BGG
| Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, heterocyclic toxin methyltransferase (Rv0560c) | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-01-07 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. J.Struct.Biol., 213, 2021
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8PFH
| Crystal structure of the yeast septin complex Shs1-Cdc12-Cdc3-Cdc10 | Descriptor: | CDC10 isoform 1, CDC12 isoform 1, Cell division control protein 3, ... | Authors: | Grupp, B, Denkhaus, L, Gerhardt, S, Gronemeyer, T. | Deposit date: | 2023-06-16 | Release date: | 2023-12-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | The structure of a tetrameric septin complex reveals a hydrophobic element essential for NC-interface integrity. Commun Biol, 7, 2024
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7NDM
| Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound substrate 4-hydroxyisoquinolin-1(2H)-one | Descriptor: | 4-oxidanyl-2~{H}-isoquinolin-1-one, Heterocyclic toxin methyltransferase (Rv0560c), MALONATE ION, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-02 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. J.Struct.Biol., 213, 2021
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7NOY
| Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis in complex with substrate 1-hydroxyquinolin-4(1H)-one | Descriptor: | 1-oxidanylquinolin-4-one, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-26 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. J.Struct.Biol., 213, 2021
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7NMK
| Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one | Descriptor: | 1-methoxy-4-oxoquinoline, 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase, FORMIC ACID, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-23 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.204 Å) | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. J.Struct.Biol., 213, 2021
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6Q9C
| Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-17 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6Q9G
| Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6Q9J
| Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129S and NuoF bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6Q9K
| Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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1P0K
| IPP:DMAPP isomerase type II apo structure | Descriptor: | Isopentenyl-diphosphate delta-isomerase, PHOSPHATE ION | Authors: | Steinbacher, S, Kaiser, J, Gerhardt, S, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | Deposit date: | 2003-04-10 | Release date: | 2003-06-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis J.Mol.Biol., 329, 2003
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1P0N
| IPP:DMAPP isomerase type II, FMN complex | Descriptor: | FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase | Authors: | Steinbacher, S, Kaiser, J, Gerhardt, S, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | Deposit date: | 2003-04-10 | Release date: | 2003-06-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis J.Mol.Biol., 329, 2003
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5G4K
| Phloroglucinol reductase from Clostridium sp. apo-form | Descriptor: | OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN | Authors: | Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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