A Structure-Based Approach to Ligand Discovery for 2C-Methyl-d-erythritol-2,4-cyclodiphosphate Synthase: A Target for Antimicrobial Therapy†
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G. Klebe | R. Brenk | N. Ramsden | W. Hunter | L. Buetow | A. Dawson | Lauris A. Kemp | Venkatsubramanian Ulaganathan
[1] W. Hunter,et al. The structure of Mycobacteria 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase, an essential enzyme, provides a platform for drug discovery , 2007, BMC Structural Biology.
[2] William N. Hunter,et al. The Non-mevalonate Pathway of Isoprenoid Precursor Biosynthesis* , 2007, Journal of Biological Chemistry.
[3] Terry K. Smith,et al. Structure and reactivity of LpxD, the N-acyltransferase of lipid A biosynthesis , 2007, Proceedings of the National Academy of Sciences.
[4] P. Hajduk. Fragment-based drug design: how big is too big? , 2006, Journal of medicinal chemistry.
[5] A. Holý. Antiviral acyclic nucleoside phosphonates structure activity studies. , 2006, Antiviral research.
[6] A. Dmoszyńska,et al. Fludarabine, cytarabine, and mitoxantrone (FLAM) for the treatment of relapsed and refractory adult acute lymphoblastic leukemia. A phase study by the Polish Adult Leukemia Group (PALG) , 2006, Annals of Hematology.
[7] F. Diederich,et al. Fluorescent inhibitors for IspF, an enzyme in the non-mevalonate pathway for isoprenoid biosynthesis and a potential target for antimalarial therapy. , 2006, Angewandte Chemie.
[8] Robin Taylor,et al. Comparing protein–ligand docking programs is difficult , 2005, Proteins.
[9] N. Ramsden,et al. A double mutation of Escherichia coli2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase disrupts six hydrogen bonds with, yet fails to prevent binding of, an isoprenoid diphosphate. , 2005, Acta crystallographica. Section F, Structural biology and crystallization communications.
[10] T. Borza,et al. Multiple Metabolic Roles for the Nonphotosynthetic Plastid of the Green Alga Prototheca wickerhamii , 2005, Eukaryotic Cell.
[11] B. G. Rao,et al. Recent developments in the design of specific Matrix Metalloproteinase inhibitors aided by structural and computational studies. , 2005, Current pharmaceutical design.
[12] W. Eisenreich,et al. Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-xylulose-dependent Pathway of Isoprenoid Precursor Biosynthesis* , 2004, Journal of Biological Chemistry.
[13] Wolfgang Eisenreich,et al. Biosynthesis of isoprenoids: a bifunctional IspDF enzyme from Campylobacter jejuni. , 2004, European journal of biochemistry.
[14] A. Hopkins,et al. Ligand efficiency: a useful metric for lead selection. , 2004, Drug discovery today.
[15] Gerhard Klebe,et al. Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis. , 2003, Journal of medicinal chemistry.
[16] Jochen Wiesner,et al. Fosmidomycin for malaria , 2002, The Lancet.
[17] D Spruce,et al. Automation of the collection and processing of X-ray diffraction data -- a generic approach. , 2002, Acta crystallographica. Section D, Biological crystallography.
[18] E. Eisenstein,et al. Structure of 2C‐methyl‐D‐erythrol‐2,4‐cyclodiphosphate synthase from Haemophilus influenzae: Activation by conformational transition , 2002, Proteins.
[19] Charles S Bond,et al. Structure of 2C-methyl-d-erythritol 2,4- cyclodiphosphate synthase: An essential enzyme for isoprenoid biosynthesis and target for antimicrobial drug development , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[20] H. Seto. Faculty Opinions recommendation of Structure and mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. An enzyme in the mevalonate-independent isoprenoid biosynthetic pathway. , 2002 .
[21] S. Steinbacher,et al. Structure of 2C-methyl-d-erythritol-2,4-cyclodiphosphate synthase involved in mevalonate-independent biosynthesis of isoprenoids. , 2002, Journal of molecular biology.
[22] W. Eisenreich,et al. The non-mevalonate pathway of isoprenoids: genes, enzymes and intermediates. , 2001, Current opinion in chemical biology.
[23] J Navaza,et al. Implementation of molecular replacement in AMoRe. , 2001, Acta crystallographica. Section D, Biological crystallography.
[24] Tudor I. Oprea,et al. Is There a Difference between Leads and Drugs? A Historical Perspective , 2001, J. Chem. Inf. Comput. Sci..
[25] B Wieland,et al. Identification of novel essential Escherichia coli genes conserved among pathogenic bacteria. , 2001, Journal of molecular microbiology and biotechnology.
[26] Andrew R. Leach,et al. Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery , 2001, J. Chem. Inf. Comput. Sci..
[27] Gerhard Klebe,et al. Subnanomolar Inhibitors from Computer Screening: A Model Study Using Human Carbonic Anhydrase II. , 2001, Angewandte Chemie.
[28] W. Doolittle,et al. The role of lateral gene transfer in the evolution of isoprenoid biosynthesis pathways , 2000, Molecular microbiology.
[29] C. Lipinski. Drug-like properties and the causes of poor solubility and poor permeability. , 2000, Journal of pharmacological and toxicological methods.
[30] W. Eisenreich,et al. Biosynthesis of terpenoids: YgbB protein converts 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate to 2C-methyl-D-erythritol 2,4-cyclodiphosphate. , 2000, Proceedings of the National Academy of Sciences of the United States of America.
[31] G. Klebe,et al. Knowledge-based scoring function to predict protein-ligand interactions. , 2000, Journal of molecular biology.
[32] Tudor I. Oprea,et al. The Design of Leadlike Combinatorial Libraries. , 1999, Angewandte Chemie.
[33] R. Ridley. Planting the Seeds of New Antimalarial Drugs , 1999, Science.
[34] H. Lichtenthaler,et al. Inhibitors of the nonmevalonate pathway of isoprenoid biosynthesis as antimalarial drugs. , 1999, Science.
[35] S. E. D. Laszlo,et al. Carbohydroxamido-oxazolidines: antibacterial agents that target lipid A biosynthesis. , 1999, Bioorganic & medicinal chemistry letters.
[36] C. Fierke,et al. UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase of Escherichia coli is a zinc metalloenzyme. , 1999, Biochemistry.
[37] G. Murshudov,et al. Refinement of macromolecular structures by the maximum-likelihood method. , 1997, Acta crystallographica. Section D, Biological crystallography.
[38] Thomas Lengauer,et al. A fast flexible docking method using an incremental construction algorithm. , 1996, Journal of molecular biology.
[39] G. Kleywegt. Use of non-crystallographic symmetry in protein structure refinement. , 1996, Acta crystallographica. Section D, Biological crystallography.
[40] J. Schwender,et al. Biosynthesis of isoprenoids (carotenoids, sterols, prenyl side-chains of chlorophylls and plastoquinone) via a novel pyruvate/glyceraldehyde 3-phosphate non-mevalonate pathway in the green alga Scenedesmus obliquus. , 1996, The Biochemical journal.
[41] Collaborative Computational,et al. The CCP4 suite: programs for protein crystallography. , 1994, Acta crystallographica. Section D, Biological crystallography.
[42] H. Sahm,et al. Isoprenoid biosynthesis in bacteria: a novel pathway for the early steps leading to isopentenyl diphosphate. , 1993, The Biochemical journal.
[43] J. Zou,et al. Improved methods for building protein models in electron density maps and the location of errors in these models. , 1991, Acta crystallographica. Section A, Foundations of crystallography.
[44] W. Eisenreich,et al. 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. , 2005, Acta crystallographica. Section D, Biological crystallography.
[45] S. Yokoyama,et al. Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis. , 2003, Acta crystallographica. Section D, Biological crystallography.
[46] W. Delano. The PyMOL Molecular Graphics System , 2002 .
[47] S. Sauret-Güeto,et al. Escherichia coli engineered to synthesize isopentenyl diphosphate and dimethylallyl diphosphate from mevalonate: a novel system for the genetic analysis of the 2-C-methyl-d-erythritol 4-phosphate pathway for isoprenoid biosynthesis. , 2001, The Biochemical journal.
[48] M. Rohmer,et al. CO2 as main carbon source for isoprenoid biosynthesis via the mevalonate-independent methylerythritol 4-phosphate route in the marine diatoms Phaeodactylum tricornutum and Nitzschia ovalis. , 2000, Phytochemistry.
[49] M. Rohmer. The discovery of a mevalonate-independent pathway for isoprenoid biosynthesis in bacteria, algae and higher plants. , 1999, Natural product reports.
[50] J. Porter,et al. Biochemistry of polyisoprenoid biosynthesis. , 1976, Annual review of biochemistry.
[51] B. Ed,et al. Biochemistry of Polyisoprenoid Biosynthesis , 1976 .