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TitleFragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Journal, issue, pagesProg. Biophys. Mol. Biol., Vol. 163, Page 130-142, Year 2021
Publish dateMay 19, 2020 (structure data deposition date)
AuthorsWilson 3rd, D.M. / Deacon, A.M. / Duncton, M.A.J. / Pellicena, P. / Georgiadis, M.M. / Yeh, A.P. / Arvai, A.S. / Moiani, D. / Tainer, J.A. / Das, D.
External linksProg. Biophys. Mol. Biol. / PubMed:33115610
MethodsX-ray diffraction
Resolution1.9 - 2.35 Å
Structure data

PDB-6x1y:
Mre11 dimer in complex with small molecule modulator PFMI
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-6x1z:
Mre11 dimer in complex with small molecule modulator PFMJ
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-UKV:
(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

ChemComp-HOH:
WATER

ChemComp-UL1:
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

ChemComp-MG:
Unknown entry

Source
  • thermotoga maritima (bacteria)
KeywordsHYDROLASE / DNA REPAIR MRE11 THERMOPHILIC NUCLEASE / DNA DOUBLE-STRAND BREAK REPAIR / HYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR complex

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