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TitleFrom PARP1 to TNKS2 Inhibition: A Structure-Based Approach.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 862-868, Year 2020
Publish dateJan 22, 2020 (structure data deposition date)
AuthorsTomassi, S. / Pfahler, J. / Mautone, N. / Rovere, A. / Esposito, C. / Passeri, D. / Pellicciari, R. / Novellino, E. / Pannek, M. / Steegborn, C. ...Tomassi, S. / Pfahler, J. / Mautone, N. / Rovere, A. / Esposito, C. / Passeri, D. / Pellicciari, R. / Novellino, E. / Pannek, M. / Steegborn, C. / Paiardini, A. / Mai, A. / Rotili, D.
External linksAcs Med. Chem. Lett. / PubMed:32435397
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-6xvw:
Catalytic domain of human PARP-1 in complex with the inhibitor MC2050
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-O3H:
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Inhibitor / Complex / DNA-repair

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