4S3D
 
 | | IspG in complex with PPi | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3F
 | | IspG in complex with Inhibitor 8 (compound 1077) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3A
 | | IspG in complex with Intermediate I | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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3NOY
 | | Crystal structure of IspG (gcpE) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, IRON/SULFUR CLUSTER | | Authors: | Groll, M, Graewert, T, Bacher, A. | | Deposit date: | 2010-06-26 | | Release date: | 2010-11-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Biosynthesis of isoprenoids: crystal structure of the [4Fe-4S] cluster protein IspG.
J.Mol.Biol., 404, 2010
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4EB3
 | | Crystal structure of IspH in complex with iso-HMBPP | | Descriptor: | 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Wang, W, Wang, K, Span, I, Bacher, A, Groll, M, Oldfield, E. | | Deposit date: | 2012-03-23 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation.
J.Am.Chem.Soc., 134, 2012
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1FBX
 | | CRYSTAL STRUCTURE OF ZINC-CONTAINING E.COLI GTP CYCLOHYDROLASE I | | Descriptor: | CHLORIDE ION, GTP CYCLOHYDROLASE I, ZINC ION | | Authors: | Auerbach, G, Herrmann, A, Bracher, A, Bader, A, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | | Deposit date: | 2000-07-17 | | Release date: | 2001-02-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1FB1
 | | CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I | | Descriptor: | GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION | | Authors: | Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | | Deposit date: | 2000-07-14 | | Release date: | 2000-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
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5MRN
 | | Arabidopsis thaliana IspD Glu258Ala Mutant | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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5MRQ
 | | Arabidopsis thaliana IspD Asp262Ala Mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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5MRM
 | | Arabidopsis thaliana IspD in complex with Isoxazole (4) | | Descriptor: | 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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5MRO
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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5MRP
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2) | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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1HQK
 | | CRYSTAL STRUCTURE ANALYSIS OF LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS | | Descriptor: | 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE | | Authors: | Zhang, X, Meining, W, Fischer, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2000-12-18 | | Release date: | 2001-12-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray structure analysis and crystallographic refinement of lumazine synthase from the hyperthermophile Aquifex aeolicus at 1.6 A resolution: determinants of thermostability revealed from structural comparisons.
J.Mol.Biol., 306, 2001
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4FFM
 | | PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine-Ne-D-ornithine) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M. | | Deposit date: | 2012-06-01 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
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4FFR
 | | SeMet-labeled PylC (remote) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PylC | | Authors: | Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M. | | Deposit date: | 2012-06-01 | | Release date: | 2012-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
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3F7T
 | | Structure of active IspH shows a novel fold with a [3Fe-4S] cluster in the catalytic centre | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, PHOSPHATE ION, ... | | Authors: | Graewert, T, Eppinger, J, Rohdich, F, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2008-11-10 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of active IspH enzyme from Escherichia coli provides mechanistic insights into substrate reduction.
Angew.Chem.Int.Ed.Engl., 48, 2009
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1EJB
 | | LUMAZINE SYNTHASE FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | 5-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-PENTYL-PHOSPHONIC ACID, LUMAZINE SYNTHASE | | Authors: | Meining, W, Mortl, S, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2000-03-02 | | Release date: | 2001-03-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The atomic structure of pentameric lumazine synthase from Saccharomyces cerevisiae at 1.85 A resolution reveals the binding mode of a phosphonate intermediate analogue.
J.Mol.Biol., 299, 2000
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1OAA
 | | MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ... | | Authors: | Auerbach, G, Herrmann, A, Bacher, A, Huber, R. | | Deposit date: | 1997-08-25 | | Release date: | 1999-02-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997
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3R0I
 | | IspC in complex with an N-methyl-substituted hydroxamic acid | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid | | Authors: | Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T. | | Deposit date: | 2011-03-08 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
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3KEF
 | | Crystal structure of IspH:DMAPP-complex | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, DIMETHYLALLYL DIPHOSPHATE, FE3-S4 CLUSTER | | Authors: | Groll, M, Graewert, T, Span, I, Eisenreich, W, Bacher, A. | | Deposit date: | 2009-10-26 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3KEM
 | | Crystal structure of IspH:IPP complex | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | | Authors: | Groll, M, Graewert, T, Span, I, Eisenreich, W, Bacher, A. | | Deposit date: | 2009-10-26 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3KE9
 | | Crystal structure of IspH:Intermediate-complex | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Groll, M, Graewert, T, Span, I, Eisenreich, W, Bacher, A. | | Deposit date: | 2009-10-24 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3KEL
 | | Crystal Structure of IspH:PP complex | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, PYROPHOSPHATE 2- | | Authors: | Groll, M, Graewert, T, Span, I, Eisenreich, W, Bacher, A. | | Deposit date: | 2009-10-26 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1GTP
 | | GTP CYCLOHYDROLASE I | | Descriptor: | GTP CYCLOHYDROLASE I, SULFATE ION | | Authors: | Nar, H, Huber, R, Meining, W, Bacher, A. | | Deposit date: | 1995-09-16 | | Release date: | 1996-11-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Atomic structure of GTP cyclohydrolase I.
Structure, 3, 1995
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4H4C
 | | IspH in complex with (E)-4-fluoro-3-methylbut-2-enyl diphosphate | | Descriptor: | (2E)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M. | | Deposit date: | 2012-09-17 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
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