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Structure paper

TitleAlkynamide phthalazinones as a new class of TbrPDEB1 inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 27, Page 3998-4012, Year 2019
Publish dateFeb 24, 2018 (structure data deposition date)
Authorsde Heuvel, E. / Singh, A.K. / Edink, E. / van der Meer, T. / van der Woude, M. / Sadek, P. / Krell-Jorgensen, M.P. / van den Bergh, T. / Veerman, J. / Caljon, G. ...de Heuvel, E. / Singh, A.K. / Edink, E. / van der Meer, T. / van der Woude, M. / Sadek, P. / Krell-Jorgensen, M.P. / van den Bergh, T. / Veerman, J. / Caljon, G. / Kalejaiye, T.D. / Wijtmans, M. / Maes, L. / de Koning, H.P. / Jan Sterk, G. / Siderius, M. / de Esch, I.J.P. / Brown, D.G. / Leurs, R.
External linksBioorg. Med. Chem. / PubMed:31327675
MethodsX-ray diffraction
Resolution2.16 Å
Structure data

PDB-6ftw:
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-E6Z:
3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / phosphodiesterase / cAMP hydrolysis / alternative splicing

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