Structural analysis of dihydrofolate reductases enables rationalization of antifolate binding affinities and suggests repurposing possibilities

The Structure and Competitive Substrate Inhibition of Dihydrofolate Reductase from Enterococcus faecalis Reveal Restrictions to Cofactor Docking

(2014) Christina R. Bourne et al.   BIOCHEMISTRY

Antifolate agents: a patent review (2010 – 2013)

(2014) Amy C Anderson et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

Elucidating Features That Drive the Design of Selective Antifolates Using Crystal Structures of Human Dihydrofolate Reductase

(2013) Kristen M. Lamb et al.   BIOCHEMISTRY

Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species

(2013) Janet L. Paulsen et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

PubChem BioAssay: 2014 update

(2013) Yanli Wang et al.   NUCLEIC ACIDS RESEARCH

Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans

(2013) C. T. Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Protein Model Portal—a comprehensive resource for protein structure and model information

(2013) Juergen Haas et al.   Database-The Journal of Biological Databases and Curation

Antifolates in cancer therapy: Structure, activity and mechanisms of drug resistance

(2012) Nitzan Gonen et al.   DRUG RESISTANCE UPDATES

Synthesis and biological activity of substituted 2,4-diaminopyrimidines that inhibit Bacillus anthracis

(2012) Baskar Nammalwar et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Detecting overlapping protein complexes in protein-protein interaction networks

(2012) Tamás Nepusz et al.   NATURE METHODS

Prediction of residues involved in inhibitor specificity in the dihydrofolate reductase family

(2011) N.M. Goodey et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity

(2011) Janet L. Paulsen et al.   Chemical Biology & Drug Design

Antifolate agents: a patent review (2006 – 2010)

(2011) Dennis L Wright et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

PocketAlign A Novel Algorithm for Aligning Binding Sites in Protein Structures

(2011) Kalidas Yeturu et al.   Journal of Chemical Information and Modeling

NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function

(2011) Jacob D. Durrant et al.   Journal of Chemical Information and Modeling

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Structural analysis ofPneumocystis cariniiand human DHFR complexes with NADPH and a series of five potent 6-[5′-(ω-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives

(2010) Vivian Cody et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Inhibition of Antibiotic-Resistant Staphylococcus aureus by the Broad-Spectrum Dihydrofolate Reductase Inhibitor RAB1

(2010) C. R. Bourne et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Cytoscape 2.8: new features for data integration and network visualization

(2010) M. E. Smoot et al.   BIOINFORMATICS

In search of dihydrofolate reductase

(2010) F. M. Huennekens   PROTEIN SCIENCE

Crystal Structure of Bacillus anthracis Dihydrofolate Reductase with the Dihydrophthalazine-Based Trimethoprim Derivative RAB1 Provides a Structural Explanation of Potency and Selectivity

(2009) C. R. Bourne et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Correlations of Inhibitor Kinetics forPneumocystis jiroveciiand Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes†‡

(2009) Vivian Cody et al.   BIOCHEMISTRY

PocketMatch: A new algorithm to compare binding sites in protein structures

(2009) Kalidas Yeturu et al.   BMC BIOINFORMATICS

Advances and pitfalls of protein structural alignment

(2009) Hitomi Hasegawa et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Crystal Structures of Wild-type and Mutant Methicillin-resistant Staphylococcus aureus Dihydrofolate Reductase Reveal an Alternate Conformation of NADPH That May Be Linked to Trimethoprim Resistance

(2009) Kathleen M. Frey et al.   JOURNAL OF MOLECULAR BIOLOGY

X-ray structure of the ternary MTX·NADPH complex of the anthrax dihydrofolate reductase: A pharmacophore for dual-site inhibitor design

(2009) Brad C. Bennett et al.   JOURNAL OF STRUCTURAL BIOLOGY

Recent Advances in Classical and Non-Classical Antifolates as Antitumor and Antiopportunistic Infection Agents: Part II

(2008) Aleem Gangjee et al.   Anti-Cancer Agents in Medicinal Chemistry

Probing the Active Site ofCandida glabrataDihydrofolate Reductase with High Resolution Crystal Structures and the Synthesis of New Inhibitors

(2008) Jieying Liu et al.   Chemical Biology & Drug Design

Structure-Guided Development of Efficacious Antifungal Agents Targeting Candida glabrata Dihydrofolate Reductase

(2008) Jieying Liu et al.   CHEMISTRY & BIOLOGY

Synthetic and Crystallographic Studies of a New Inhibitor Series TargetingBacillus anthracisDihydrofolate Reductase

(2008) Jennifer M. Beierlein et al.   JOURNAL OF MEDICINAL CHEMISTRY

Matt: Local Flexibility Aids Protein Multiple Structure Alignment

(2008) Matthew Menke et al.   PLoS Computational Biology

Binding similarity network of ligand

(2007) Keunwan Park et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS