2YCM
 
 | | Inhibitors of herbicidal target IspD | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2011-03-16 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
|
|
2YC5
 | | Inhibitors of the herbicidal target IspD | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
|
|
8JNW
 | | PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2023-06-08 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
|
|
8JNV
 | | PfDXR - Mn2+ - MAMK89 ternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2023-06-06 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
|
|
1ZIS
 | | Recombinant Lumazine synthase (hexagonal form) | | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | | Authors: | Lopez-Jaramillo, F.J. | | Deposit date: | 2005-04-27 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of recombinant Lumazine synthase (hexagonal form)
To be Published
|
|
1H47
 | | Structures of MECP synthase in complex with (i) CMP and (ii) CMP and product | | Descriptor: | 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ... | | Authors: | Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N. | | Deposit date: | 2003-02-24 | | Release date: | 2004-10-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods
Acta Crystallogr.,Sect.D, 61, 2005
|
|
1H48
 | | The structure of 2C-Methyl-D-erythritol 2,4-cyclodiphosphate synthase in complex with CMP and product | | Descriptor: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N. | | Deposit date: | 2003-02-24 | | Release date: | 2004-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods
Acta Crystallogr.,Sect.D, 61, 2005
|
|
2V2Q
 | | IspE in complex with ligand | | Descriptor: | 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, ... | | Authors: | Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-06 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis.
Chemmedchem, 3, 2008
|
|
2V2V
 | | IspE in complex with ligand | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, 5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE, BROMIDE ION, ... | | Authors: | Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-07 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis.
Chemmedchem, 3, 2008
|
|
2V34
 | | IspE in complex with cytidine and ligand | | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... | | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
|
|
2V2Z
 | | IspE in complex with ADP and CDPME | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-08 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
|
|
2V8P
 | | IspE in complex with ADP and CDP | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-08-13 | | Release date: | 2007-08-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
|
|
2VF3
 | | Aquifex aeolicus IspE in complex with ligand | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-10-30 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitors of the Kinase Ispe: Structure-Activity Relationships and Co-Crystal Structure Analysis.
Org.Biomol.Chem., 6, 2008
|
|
1W57
 | | Structure of the Bifunctional IspDF from Campylobacter jejuni containing Zn | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ISPD/ISPF BIFUNCTIONAL ENZYME, ... | | Authors: | Gabrielsen, M, Bond, C.S, Hunter, W.N. | | Deposit date: | 2004-08-06 | | Release date: | 2004-10-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis
J.Biol.Chem., 279, 2004
|
|
1W55
 | | Structure of the Bifunctional IspDF from Campylobacter jejuni | | Descriptor: | 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ... | | Authors: | Gabrielsen, M, Bond, C.S, Hunter, W.N. | | Deposit date: | 2004-08-05 | | Release date: | 2004-10-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis
J.Biol.Chem., 279, 2004
|
|
2AMT
 | | Structure of 2C-Methyl-D-Erythritol 2,4-Clycodiphosphate Synthase complexed with a CDP derived fluorescent inhibitor | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE, GERANYL DIPHOSPHATE, ... | | Authors: | Ramsden, N.L, Hunter, W.N. | | Deposit date: | 2005-08-10 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fluorescent Inhibitors for IspF, an Enzyme in the Non-Mevalonate Pathway for Isoprenoid Biosynthesis and a Potential Target for Antimalarial Therapy.
Angew.Chem.Int.Ed.Engl., 45, 2006
|
|
3WQR
 | | Crystal structure of pfdxr complexed with inhibitor-12 | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | | Authors: | Tanaka, N, Umeda, T. | | Deposit date: | 2014-01-31 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
|
|
3WQQ
 | | Crystal structure of PfDXR complexed with inhibitor-3 | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | | Authors: | Tanaka, N, Umeda, T. | | Deposit date: | 2014-01-31 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
|
|
3WQS
 | | Crystal structure of pfdxr complexed with inhibitor-126 | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MAGNESIUM ION, ... | | Authors: | Tanaka, N, Umeda, T. | | Deposit date: | 2014-01-31 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
|
|
1OJ4
 | | Ternary complex of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... | | Authors: | Miallau, L, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2003-06-30 | | Release date: | 2003-07-31 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Biosynthesis of Isoprenoids: Crystal Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
1RD5
 | | Crystal structure of Tryptophan synthase alpha chain homolog BX1: a member of the chemical plant defense system | | Descriptor: | MALONIC ACID, Tryptophan synthase alpha chain, chloroplast | | Authors: | Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I. | | Deposit date: | 2003-11-05 | | Release date: | 2004-12-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
J.Mol.Biol., 352, 2005
|
|
2RIS
 | |
2RIU
 | | Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase- alternate interpreation | | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE | | Authors: | Stenkamp, R.E, Le Trong, I. | | Deposit date: | 2007-10-12 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
|
|
2FZ5
 | | Solution structure of two-electron reduced Megasphaera elsdenii flavodoxin | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavodoxin | | Authors: | van Mierlo, C.P.M, Lijnzaad, P, Vervoort, J, Mueller, F, Berendsen, H.J, de Vlieg, J. | | Deposit date: | 2006-02-09 | | Release date: | 2006-03-14 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Tertiary structure of two-electron reduced Megasphaera elsdenii flavodoxin and some implications, as determined by two-dimensional 1H NMR and restrained molecular dynamics
Eur.J.Biochem., 194, 1990
|
|
