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TitleOptimization of 2,3-dihydrophthalazine-1,4-dione PARP inhibitor scaffold for nanomolar potency and specificity towards human PARP10.
Journal, issue, pagesEur. J. Med. Chem., Vol. 300, Page 118111-118111, Year 2025
Publish dateJun 17, 2025 (structure data deposition date)
AuthorsAlaviuhkola, J. / Nizi, M.G. / Vagaggini, C. / Sarnari, C. / Lippok, B. / Maksimainen, M.M. / Bosetti, C. / Dhakar, S.S. / Manfroni, G. / Massari, S. ...Alaviuhkola, J. / Nizi, M.G. / Vagaggini, C. / Sarnari, C. / Lippok, B. / Maksimainen, M.M. / Bosetti, C. / Dhakar, S.S. / Manfroni, G. / Massari, S. / Dreassi, E. / Korn, P. / Tabarrini, O. / Lehtio, L.
External linksEur. J. Med. Chem. / PubMed:40914013
MethodsX-ray diffraction
Resolution1.8 - 2.75 Å
Structure data

PDB-9rlo:
PARP15 catalytic domain in complex with OUL250
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-9rlp:
PARP15 catalytic domain in complex with OUL310
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9rlq:
PARP15 catalytic domain in complex with OUL312
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9rlr:
PARP15 catalytic domain in complex with OUL499
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-9rls:
PARP10 catalytic domain in complex with OUL499
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

PDB-1jg9:
Crystal Structure of Amylosucrase from Neisseria polysaccharea in Complex with D-glucose

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

PDB-1jha:
Structural Investigation of the Biosynthesis of Alternative Lower Ligands for Cobamides by Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase (CobT) from Salmonella enterica

PDB-1jhb:
HUMAN GLUTAREDOXIN IN FULLY REDUCED FORM, NMR, 20 STRUCTURES

PDB-1jhc:
LEXA S119A C-TERMINAL TRYPTIC FRAGMENT

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Inhibitor / Complex / ADP-ribosyltransferase

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