Function and molecular mechanism of the DNA damage response in immunity and cancer immunotherapy

Z Ye, Y Shi, SP Lees-Miller, JA Tainer - Frontiers in immunology, 2021 - frontiersin.org
The DNA damage response (DDR) is an organized network of multiple interwoven
components evolved to repair damaged DNA and maintain genome fidelity. Conceptually …

Novobiocin blocks nucleic acid binding to Polθ and inhibits stimulation of its ATPase activity

A Syed, F Filandr, J Patterson-Fortin… - Nucleic acids …, 2023 - academic.oup.com
Polymerase theta (Polθ) acts in DNA replication and repair, and its inhibition is synthetic
lethal in BRCA1 and BRCA2-deficient tumor cells. Novobiocin (NVB) is a first-in-class …

Target highlights in CASP14: Analysis of models by structure providers

LT Alexander, R Lepore… - Proteins: Structure …, 2021 - Wiley Online Library
The biological and functional significance of selected Critical Assessment of Techniques for
Protein Structure Prediction 14 (CASP14) targets are described by the authors of the …

X‐ray scattering reveals disordered linkers and dynamic interfaces in complexes and mechanisms for DNA double‐strand break repair impacting cell and cancer …

M Hammel, JA Tainer - Protein Science, 2021 - Wiley Online Library
Evolutionary selection ensures specificity and efficiency in dynamic metastable
macromolecular machines that repair DNA damage without releasing toxic and mutagenic …

A new class of uracil–DNA glycosylase inhibitors active against human and vaccinia virus enzyme

IR Grin, GV Mechetin, RD Kasymov, EA Diatlova… - Molecules, 2021 - mdpi.com
Uracil–DNA glycosylases are enzymes that excise uracil bases appearing in DNA as a
result of cytosine deamination or accidental dUMP incorporation from the dUTP pool. The …

Decoding Cancer Variants of Unknown Significance for Helicase–Nuclease–RPA Complexes Orchestrating DNA Repair During Transcription and Replication

SE Tsutakawa, A Bacolla, P Katsonis… - Frontiers in Molecular …, 2021 - frontiersin.org
All tumors have DNA mutations, and a predictive understanding of those mutations could
inform clinical treatments. However, 40% of the mutations are variants of unknown …

Small-Molecule Activator of SMUG1 Enhances Repair of Pyrimidine Lesions in DNA

Y Gao, L McPherson, S Adimoolam, S Suresh… - DNA Repair, 2025 - Elsevier
A potentially promising approach to targeted cancer prevention in genetically at-risk
populations is the pharmacological upregulation of DNA repair pathways. SMUG1 is a base …

[HTML][HTML] A goldilocks computational protocol for inhibitor discovery targeting DNA damage responses including replication-repair functions

D Moiani, JA Tainer - Frontiers in Molecular Biosciences, 2024 - pmc.ncbi.nlm.nih.gov
While many researchers can design knockdown and knockout methodologies to remove a
gene product, this is mainly untrue for new chemical inhibitor designs that empower …

Repurposing sodium stibogluconate as an uracil DNA glycosylase inhibitor against prostate cancer using a time-resolved oligonucleotide-based drug screening …

SC Nao, LS Huang, DSH Chan, X Wang, GD Li… - Bioorganic …, 2024 - Elsevier
Repurposing drugs can significantly reduce the time and costs associated with drug
discovery and development. However, many drug compounds possess intrinsic …

Coupling 6-chloro-3-methyluracil with copper: structural features, theoretical analysis, and biofunctional properties

B Kumar, T Das, S Das, W Maniukiewicz… - Dalton …, 2021 - pubs.rsc.org
As nucleobases in RNA and DNA, uracil and 5-methyluracil represent a recognized class of
bioactive molecules and versatile ligands for coordination compounds with various …