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Structure paper

TitleDiscovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 10, Page 534-538, Year 2019
Publish dateNov 20, 2018 (structure data deposition date)
AuthorsPapeo, G. / Orsini, P. / Avanzi, N.R. / Borghi, D. / Casale, E. / Ciomei, M. / Cirla, A. / Desperati, V. / Donati, D. / Felder, E.R. ...Papeo, G. / Orsini, P. / Avanzi, N.R. / Borghi, D. / Casale, E. / Ciomei, M. / Cirla, A. / Desperati, V. / Donati, D. / Felder, E.R. / Galvani, A. / Guanci, M. / Isacchi, A. / Posteri, H. / Rainoldi, S. / Riccardi-Sirtori, F. / Scolaro, A. / Montagnoli, A.
External linksAcs Med. Chem. Lett. / PubMed:30996792
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-6i8m:
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH ISOINDOLINONE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-6i8t:
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH AN ISOINDOLINONE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-H7W:
(1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide

ChemComp-HOH:
WATER

ChemComp-H7Z:
(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide

Source
  • gallus gallus (chicken)
KeywordsTRANSFERASE / CHICKEN PARP1 / INHIBITOR COMPLEX / ADP-RIBOSYLATION / DNA DAMAGE

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