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TitleSynthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Journal, issue, pagesEur. J. Med. Chem., Vol. 43, Page 1276-1296, Year 2008
Publish dateOct 5, 2006 (structure data deposition date)
AuthorsSmaill, J.B. / Baker, E.N. / Booth, R.J. / Bridges, A.J. / Dickson, J.M. / Dobrusin, E.M. / Ivanovic, I. / Kraker, A.J. / Lee, H.H. / Lunney, E.A. ...Smaill, J.B. / Baker, E.N. / Booth, R.J. / Bridges, A.J. / Dickson, J.M. / Dobrusin, E.M. / Ivanovic, I. / Kraker, A.J. / Lee, H.H. / Lunney, E.A. / Ortwine, D.F. / Palmer, B.D. / Quin, J. / Squire, C.J. / Thompson, A.M. / Denny, W.A.
External linksEur. J. Med. Chem. / PubMed:17869387
MethodsX-ray diffraction
Resolution1.9 - 2.2 Å
Structure data

PDB-2in6:
Wee1 kinase complex with inhibitor PD311839
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2io6:
Wee1 kinase complexed with inhibitor PD330961
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-839:
3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID

ChemComp-HOH:
WATER

ChemComp-330:
9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein-inhibitor complex

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