Structure-Based Virtual Ligand Screening on the XRCC4/DNA Ligase IV Interface

Increasing the efficiency of precise genome editing with CRISPR-Cas9 by inhibition of nonhomologous end joining

(2015) Takeshi Maruyama et al.   NATURE BIOTECHNOLOGY

Increasing the efficiency of homology-directed repair for CRISPR-Cas9-induced precise gene editing in mammalian cells

(2015) Van Trung Chu et al.   NATURE BIOTECHNOLOGY

In silico design of low molecular weight protein–protein interaction inhibitors: Overall concept and recent advances

(2015) Mélaine A. Kuenemann et al.   PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY

Rational design of protein–protein interaction inhibitors

(2015) Didier Rognan   MedChemComm

Structural insights into NHEJ: Building up an integrated picture of the dynamic DSB repair super complex, one component and interaction at a time

(2014) Gareth J. Williams et al.   DNA REPAIR

Nonhomologous end joining: A good solution for bad ends

(2014) Crystal A. Waters et al.   DNA REPAIR

Non-homologous end joining: Emerging themes and unanswered questions

(2014) Sarvan Kumar Radhakrishnan et al.   DNA REPAIR

The clinical impact of deficiency in DNA non-homologous end-joining

(2014) Lisa Woodbine et al.   DNA REPAIR

Chemistry: Chemical con artists foil drug discovery

(2014) Jonathan Baell et al.   NATURE

Chemotherapeutic Compounds Targeting the DNA Double-Strand Break Repair Pathways: The Good, the Bad, and the Promising

(2014) Christian Jekimovs et al.   Frontiers in Oncology

Novel toll-like receptor 4 (TLR4) antagonists identified by structure- and ligand-based virtual screening

(2013) Urban Švajger et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

A noncatalytic function of the ligation complex during nonhomologous end joining

(2013) Jessica Cottarel et al.   JOURNAL OF CELL BIOLOGY

Delineation of key XRCC4/Ligase IV interfaces for targeted disruption of non-homologous end joining DNA repair

(2013) Meghan J. McFadden et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Structure of the Catalytic Region of DNA Ligase IV in Complex with an Artemis Fragment Sheds Light on Double-Strand Break Repair

(2013) Takashi Ochi et al.   STRUCTURE

Repair of Double-Strand Breaks by End Joining

(2013) K. K. Chiruvella et al.   Cold Spring Harbor Perspectives in Biology

Small Molecules, Inhibitors of DNA-PK, Targeting DNA Repair, and Beyond

(2013) David Davidson et al.   Frontiers in Pharmacology

An Inhibitor of Nonhomologous End-Joining Abrogates Double-Strand Break Repair and Impedes Cancer Progression

(2012) Mrinal Srivastava et al.   CELL

Hydroxyl may not be indispensable for raltegravir: Design, synthesis and SAR Studies of raltegravir derivatives as HIV-1 inhibitors

(2012) Ziwen Wang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

FRED and HYBRID docking performance on standardized datasets

(2012) Mark McGann   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Virtual Screening and Biological Evaluation of Inhibitors Targeting the XPA-ERCC1 Interaction

(2012) Khaled H. Barakat et al.   PLoS One

Targeting Multiple Conformations Leads to Small Molecule Inhibitors of the uPAR·uPA Protein–Protein Interaction That Block Cancer Cell Invasion

(2011) May Khanna et al.   ACS Chemical Biology

Structure-Based Discovery of a Novel Inhibitor Targeting the β-Catenin/Tcf4 Interaction

(2011) Wang Tian et al.   BIOCHEMISTRY

Congenital bone marrow failure in DNA-PKcs mutant mice associated with deficiencies in DNA repair

(2011) Shichuan Zhang et al.   JOURNAL OF CELL BIOLOGY

The Mechanism of Double-Strand DNA Break Repair by the Nonhomologous DNA End-Joining Pathway

(2010) Michael R. Lieber   Annual Review of Biochemistry

Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design

(2010) Jacob D. Durrant et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

NMR Screening and Hit Validation in Fragment Based Drug Discovery

(2010) Ramon Campos-Olivas   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity

(2010) Alan P. Hill et al.   DRUG DISCOVERY TODAY

Cheminformatic Tools for Medicinal Chemists

(2010) Steven W. Muchmore et al.   JOURNAL OF MEDICINAL CHEMISTRY

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

The DNA Damage Response: Making It Safe to Play with Knives

(2010) Alberto Ciccia et al.   MOLECULAR CELL

Development of a Second-Generation, Highly Efficient Manufacturing Route for the HIV Integrase Inhibitor Raltegravir Potassium

(2010) Guy R. Humphrey et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

XLF Regulates Filament Architecture of the XRCC4·Ligase IV Complex

(2010) Michal Hammel et al.   STRUCTURE

Molecular Dynamics as a Tool in Rational Drug Design: Current Status and Some Major Applications

(2009) Roberta Galeazzi   Current Computer-Aided Drug Design

Ligase IV syndrome

(2009) Dimitry A. Chistiakov et al.   European Journal of Medical Genetics

Structural and Functional Interaction between the Human DNA Repair Proteins DNA Ligase IV and XRCC4

(2009) P.-Y. Wu et al.   MOLECULAR AND CELLULAR BIOLOGY

A Quantitative Model of Thermal Stabilization and Destabilization of Proteins by Ligands

(2008) Piotras Cimmperman et al.   BIOPHYSICAL JOURNAL

Rational Design of Human DNA Ligase Inhibitors that Target Cellular DNA Replication and Repair

(2008) X. Chen et al.   CANCER RESEARCH

Discovery of Raltegravir, a Potent, Selective Orally Bioavailable HIV-Integrase Inhibitor for the Treatment of HIV-AIDS Infection

(2008) Vincenzo Summa et al.   JOURNAL OF MEDICINAL CHEMISTRY