Inhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.

PubWeight™: 0.81‹?›

🔗 View Article (PMC 3169404)

Published in Acta Crystallogr Sect F Struct Biol Cryst Commun on August 16, 2011

Authors

Darren W Begley1, Thomas E Edwards, Amy C Raymond, Eric R Smith, Robert C Hartley, Jan Abendroth, Banumathi Sankaran, Donald D Lorimer, Peter J Myler, Bart L Staker, Lance J Stewart

Author Affiliations

1: Seattle Structural Genomics Center for Infectious Disease (http://www.ssgcid.org), USA. dbegley@embios.com

Articles cited by this

Coot: model-building tools for molecular graphics. Acta Crystallogr D Biol Crystallogr (2004) 227.01

The Protein Data Bank. Nucleic Acids Res (2000) 187.10

Refinement of macromolecular structures by the maximum-likelihood method. Acta Crystallogr D Biol Crystallogr (1997) 137.43

Clustal W and Clustal X version 2.0. Bioinformatics (2007) 126.47

Phaser crystallographic software. J Appl Crystallogr (2007) 108.34

Overview of the CCP4 suite and current developments. Acta Crystallogr D Biol Crystallogr (2011) 67.55

XDS. Acta Crystallogr D Biol Crystallogr (2010) 67.46

MolProbity: all-atom structure validation for macromolecular crystallography. Acta Crystallogr D Biol Crystallogr (2009) 53.36

Announcing the worldwide Protein Data Bank. Nat Struct Biol (2003) 17.06

Automated macromolecular model building for X-ray crystallography using ARP/wARP version 7. Nat Protoc (2008) 16.53

A proteomic view of the Plasmodium falciparum life cycle. Nature (2002) 10.65

Ulp1-SUMO crystal structure and genetic analysis reveal conserved interactions and a regulatory element essential for cell growth in yeast. Mol Cell (2000) 6.39

Evidence that a point mutation in dihydrofolate reductase-thymidylate synthase confers resistance to pyrimethamine in falciparum malaria. Proc Natl Acad Sci U S A (1988) 5.92

Ticks and tickborne bacterial diseases in humans: an emerging infectious threat. Clin Infect Dis (2001) 5.61

Babesiosis. Clin Microbiol Rev (2000) 3.97

Genome sequence of Babesia bovis and comparative analysis of apicomplexan hemoprotozoa. PLoS Pathog (2007) 3.27

Amino acids in the dihydrofolate reductase-thymidylate synthase gene of Plasmodium falciparum involved in cycloguanil resistance differ from those involved in pyrimethamine resistance. Proc Natl Acad Sci U S A (1990) 3.24

Insights into antifolate resistance from malarial DHFR-TS structures. Nat Struct Biol (2003) 3.20

Metabolic coupling factors in pancreatic beta-cell signal transduction. Annu Rev Biochem (1995) 2.87

LY231514, a pyrrolo[2,3-d]pyrimidine-based antifolate that inhibits multiple folate-requiring enzymes. Cancer Res (1997) 2.83

Babesiosis of cattle. Parasitology (2004) 2.69

The Polymerase Incomplete Primer Extension (PIPE) method applied to high-throughput cloning and site-directed mutagenesis. Methods Mol Biol (2009) 2.32

Babesiosis: recent insights into an ancient disease. Int J Parasitol (2008) 2.08

ICI D1694, a quinazoline antifolate thymidylate synthase inhibitor that is a potent inhibitor of L1210 tumor cell growth in vitro and in vivo: a new agent for clinical study. Cancer Res (1991) 1.94

Lessons and conclusions from dissecting the mechanism of a bisubstrate enzyme: thymidylate synthase mutagenesis, function, and structure. Biochemistry (2003) 1.67

The plug-based nanovolume Microcapillary Protein Crystallization System (MPCS). Acta Crystallogr D Biol Crystallogr (2008) 1.52

Structure of and kinetic channelling in bifunctional dihydrofolate reductase-thymidylate synthase. Nat Struct Biol (1994) 1.47

Gene composer: database software for protein construct design, codon engineering, and gene synthesis. BMC Biotechnol (2009) 1.43

A dideazatetrahydrofolate analogue lacking a chiral center at C-6, N-[4-[2-(2-amino-3,4-dihydro-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5- yl)ethyl]benzoyl]-L-glutamic acid, is an inhibitor of thymidylate synthase. J Med Chem (1992) 1.38

DNA and RNA synthesis: antifolates. Chem Rev (2005) 1.37

Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug. Biochemistry (2001) 1.37

Malarial (Plasmodium falciparum) dihydrofolate reductase-thymidylate synthase: structural basis for antifolate resistance and development of effective inhibitors. Parasitology (2005) 1.35

Crystal structure of human thymidylate synthase: a structural mechanism for guiding substrates into the active site. Biochemistry (1995) 1.32

Emergence of resistance to azithromycin-atovaquone in immunocompromised patients with Babesia microti infection. Clin Infect Dis (2010) 1.20

Conversion of uracil deoxyriboside to thymidine of deoxyribonucleic acid. J Biol Chem (1956) 1.19

Phylogenetic classification of protozoa based on the structure of the linker domain in the bifunctional enzyme, dihydrofolate reductase-thymidylate synthase. J Biol Chem (2003) 1.16

Folate-based thymidylate synthase inhibitors as anticancer drugs. Ann Oncol (1995) 1.09

Nonconserved residues Ala287 and Ser290 of the Cryptosporidium hominis thymidylate synthase domain facilitate its rapid rate of catalysis. Biochemistry (2007) 1.09

Escherichia coli thymidylate synthase: amino acid substitutions by suppression of amber nonsense mutations. Proc Natl Acad Sci U S A (1990) 1.08

Thymidylate synthase structure, function and implication in drug discovery. Curr Med Chem (2005) 1.06

Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J Mol Biol (2001) 0.99

The Protein Maker: an automated system for high-throughput parallel purification. Acta Crystallogr Sect F Struct Biol Cryst Commun (2011) 0.99

Kinetic characterization of bifunctional thymidylate synthase-dihydrofolate reductase (TS-DHFR) from Cryptosporidium hominis: a paradigm shift for ts activity and channeling behavior. J Biol Chem (2004) 0.98

Cancer chemotherapy: targeting folic acid synthesis. Cancer Manag Res (2010) 0.95

Thymidylate synthase: a target for anticancer drug design. Adv Enzyme Regul (1989) 0.95

Synthesis of N-{4-[(2,4-diamino-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid and N-{4-[(2-amino-4-oxo-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid as dual inhibitors of dihydrofolate reductase and thymidylate synthase and as potential antitumor agents. J Med Chem (2005) 0.91

Thymidine kinase from Escherichia coli. Methods Enzymol (1978) 0.89

Potent dual thymidylate synthase and dihydrofolate reductase inhibitors: classical and nonclassical 2-amino-4-oxo-5-arylthio-substituted-6-methylthieno[2,3-d]pyrimidine antifolates. J Med Chem (2008) 0.88

Nanovolume optimization of protein crystal growth using the microcapillary protein crystallization system. J Appl Crystallogr (2010) 0.88

Salvage and storage of infectious disease protein targets in the SSGCID high-throughput crystallization pathway using microfluidics. Acta Crystallogr Sect F Struct Biol Cryst Commun (2011) 0.77

Articles by these authors

The genome of the kinetoplastid parasite, Leishmania major. Science (2005) 8.64

The genome sequence of Trypanosoma cruzi, etiologic agent of Chagas disease. Science (2005) 7.61

Comparative genomics of trypanosomatid parasitic protozoa. Science (2005) 5.37

TriTrypDB: a functional genomic resource for the Trypanosomatidae. Nucleic Acids Res (2009) 3.79

Biological and structural characterization of a host-adapting amino acid in influenza virus. PLoS Pathog (2010) 3.65

Conformational control inhibition of the BCR-ABL1 tyrosine kinase, including the gatekeeper T315I mutant, by the switch-control inhibitor DCC-2036. Cancer Cell (2011) 3.49

Structure and rearrangements in the carboxy-terminal region of SpIH channels. Structure (2007) 3.09

Transcription of Leishmania major Friedlin chromosome 1 initiates in both directions within a single region. Mol Cell (2003) 2.54

Type II secretion: from structure to function. FEMS Microbiol Lett (2006) 2.51

Heterologous expression of proteins from Plasmodium falciparum: results from 1000 genes. Mol Biochem Parasitol (2006) 2.45

Patterns of gene recombination shape var gene repertoires in Plasmodium falciparum: comparisons of geographically diverse isolates. BMC Genomics (2007) 2.23

Widespread variation in transcript abundance within and across developmental stages of Trypanosoma brucei. BMC Genomics (2009) 2.00

Specific Btk inhibition suppresses B cell- and myeloid cell-mediated arthritis. Nat Chem Biol (2010) 1.94

A comprehensive analysis of Trypanosoma brucei mitochondrial proteome. Proteomics (2009) 1.94

Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety. Nat Biotechnol (2009) 1.91

Cocrystal structure of a class I preQ1 riboswitch reveals a pseudoknot recognizing an essential hypermodified nucleobase. Nat Struct Mol Biol (2009) 1.88

GeneDB--an annotation database for pathogens. Nucleic Acids Res (2011) 1.82

Mitochondrial complexes in Trypanosoma brucei: a novel complex and a unique oxidoreductase complex. Mol Cell Proteomics (2007) 1.81

Transcription initiation and termination on Leishmania major chromosome 3. Eukaryot Cell (2004) 1.67

Structural analysis of histo-blood group antigen binding specificity in a norovirus GII.4 epidemic variant: implications for epochal evolution. J Virol (2011) 1.53

The plug-based nanovolume Microcapillary Protein Crystallization System (MPCS). Acta Crystallogr D Biol Crystallogr (2008) 1.52

Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch. RNA (2009) 1.48

Glucosylated hydroxymethyluracil, DNA base J, prevents transcriptional readthrough in Leishmania. Cell (2012) 1.46

Mechanisms of camptothecin resistance by human topoisomerase I mutations. J Mol Biol (2004) 1.46

Histone acetylations mark origins of polycistronic transcription in Leishmania major. BMC Genomics (2009) 1.46

Active site in RrmJ, a heat shock-induced methyltransferase. J Biol Chem (2002) 1.45

Structural basis of Fic-mediated adenylylation. Nat Struct Mol Biol (2010) 1.44

Trypanosoma brucei mitochondrial ribosomes: affinity purification and component identification by mass spectrometry. Mol Cell Proteomics (2008) 1.44

Structure of the carboxy-terminal region of a KCNH channel. Nature (2012) 1.41

Structure of hepatitis C virus polymerase in complex with primer-template RNA. J Virol (2012) 1.39

High-throughput protein production and purification at the Seattle Structural Genomics Center for Infectious Disease. Acta Crystallogr Sect F Struct Biol Cryst Commun (2011) 1.37

Synthesis and mechanism of action studies of a series of norindenoisoquinoline topoisomerase I poisons reveal an inhibitor with a flipped orientation in the ternary DNA-enzyme-inhibitor complex as determined by X-ray crystallographic analysis. J Med Chem (2005) 1.37

A novel norindenoisoquinoline structure reveals a common interfacial inhibitor paradigm for ternary trapping of the topoisomerase I-DNA covalent complex. Mol Cancer Ther (2006) 1.36

Structural basis for specific, high-affinity tetracycline binding by an in vitro evolved aptamer and artificial riboswitch. Chem Biol (2008) 1.35

A novel active DNA topoisomerase I in Leishmania donovani. J Biol Chem (2002) 1.35

Leishmania major chromosome 3 contains two long convergent polycistronic gene clusters separated by a tRNA gene. Nucleic Acids Res (2003) 1.29

Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets. Proc Natl Acad Sci U S A (2012) 1.28

Structural genomics of infectious disease drug targets: the SSGCID. Acta Crystallogr Sect F Struct Biol Cryst Commun (2011) 1.27

DcpS as a therapeutic target for spinal muscular atrophy. ACS Chem Biol (2008) 1.25

SAD phasing using iodide ions in a high-throughput structural genomics environment. J Struct Funct Genomics (2011) 1.23

Combining functional and structural genomics to sample the essential Burkholderia structome. PLoS One (2013) 1.21

Nanometer distance measurements on RNA using PELDOR. J Am Chem Soc (2003) 1.21

Synergistic stimulation of EpsE ATP hydrolysis by EpsL and acidic phospholipids. EMBO J (2006) 1.21

Structural genomics of pathogenic protozoa: an overview. Methods Mol Biol (2008) 1.20

Design, synthesis, and biological evaluation of cytotoxic 11-alkenylindenoisoquinoline topoisomerase I inhibitors and indenoisoquinoline-camptothecin hybrids. J Med Chem (2003) 1.19

Post-translational modification of cellular proteins during Leishmania donovani differentiation. Proteomics (2008) 1.19

Structure of an As(III) S-adenosylmethionine methyltransferase: insights into the mechanism of arsenic biotransformation. Biochemistry (2012) 1.13

Substrate specificity of tyrosyl-DNA phosphodiesterase I (Tdp1). J Biol Chem (2005) 1.12

A new alpha-helical extension promotes RNA binding by the dsRBD of Rnt1p RNAse III. EMBO J (2004) 1.12

Structural changes common to catalysis in the Tpx peroxiredoxin subfamily. J Mol Biol (2009) 1.12

Structure of the minor pseudopilin EpsH from the Type 2 secretion system of Vibrio cholerae. J Mol Biol (2007) 1.12

Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J Med Chem (2009) 1.12

The role of medical structural genomics in discovering new drugs for infectious diseases. PLoS Comput Biol (2009) 1.11

Evaluation of differential gene expression in Leishmania major Friedlin procyclics and metacyclics using DNA microarray analysis. Mol Biochem Parasitol (2003) 1.11

Iron uptake controls the generation of Leishmania infective forms through regulation of ROS levels. J Exp Med (2013) 1.08

Extensive stage-regulation of translation revealed by ribosome profiling of Trypanosoma brucei. BMC Genomics (2014) 1.07

The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the type 2 secretion system of Vibrio vulnificus. J Mol Biol (2007) 1.07

Biomediator data integration and inference for functional annotation of anonymous sequences. Pac Symp Biocomput (2007) 1.02

Crystallization and preliminary X-ray crystallographic analysis of the ArsM arsenic(III) S-adenosylmethionine methyltransferase. Acta Crystallogr Sect F Struct Biol Cryst Commun (2010) 1.01

Crystal structure of cGMP-dependent protein kinase reveals novel site of interchain communication. Structure (2011) 1.01

Genomic organization and gene expression in a chromosomal region of Leishmania major. Mol Biochem Parasitol (2004) 1.00

Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J Med Chem (2006) 1.00

Solution structure of Rv2377c-founding member of the MbtH-like protein family. Tuberculosis (Edinb) (2010) 1.00

The Protein Maker: an automated system for high-throughput parallel purification. Acta Crystallogr Sect F Struct Biol Cryst Commun (2011) 0.99

Structure of a Burkholderia pseudomallei trimeric autotransporter adhesin head. PLoS One (2010) 0.98

Structural basis of substrate specificity and protease inhibition in Norwalk virus. J Virol (2013) 0.98

Crystal structure of interleukin-6 in complex with a modified nucleic acid ligand. J Biol Chem (2014) 0.96

Genomic organization and expression of the expanded SCG/L/R gene family of Leishmania major: internal clusters and telomeric localization of SCGs mediating species-specific LPG modifications. Mol Biochem Parasitol (2006) 0.95

Identification of a potential general acid/base in the reversible phosphoryl transfer reactions catalyzed by tyrosine recombinases: Flp H305. Chem Biol (2007) 0.95

Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity. Biochemistry (2002) 0.95

Cloning, heterologous expression, and substrate specificities of protein farnesyltransferases from Trypanosoma cruzi and Leishmania major. Mol Biochem Parasitol (2002) 0.94

A crystal structure of the cyclic GMP-dependent protein kinase I{beta} dimerization/docking domain reveals molecular details of isoform-specific anchoring. J Biol Chem (2010) 0.94

Monitoring tat peptide binding to TAR RNA by solid-state 31P-19F REDOR NMR. Nucleic Acids Res (2005) 0.94

Characterization of the RNA polymerase II and III complexes in Leishmania major. Int J Parasitol (2006) 0.94

Design and synthesis of fluorescent substrates for human tyrosyl-DNA phosphodiesterase I. Nucleic Acids Res (2004) 0.93

Structure of Lmaj006129AAA, a hypothetical protein from Leishmania major. Acta Crystallogr Sect F Struct Biol Cryst Commun (2006) 0.93

Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics (2011) 0.92