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TitleChemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 5520-5541, Year 2016
Publish dateMar 6, 2016 (structure data deposition date)
AuthorsRudolph, J. / Murray, L.J. / Ndubaku, C.O. / O'Brien, T. / Blackwood, E. / Wang, W. / Aliagas, I. / Gazzard, L. / Crawford, J.J. / Drobnick, J. ...Rudolph, J. / Murray, L.J. / Ndubaku, C.O. / O'Brien, T. / Blackwood, E. / Wang, W. / Aliagas, I. / Gazzard, L. / Crawford, J.J. / Drobnick, J. / Lee, W. / Zhao, X. / Hoeflich, K.P. / Favor, D.A. / Dong, P. / Zhang, H. / Heise, C.E. / Oh, A. / Ong, C.C. / La, H. / Chakravarty, P. / Chan, C. / Jakubiak, D. / Epler, J. / Ramaswamy, S. / Vega, R. / Cain, G. / Diaz, D. / Zhong, Y.
External linksJ. Med. Chem. / PubMed:27167326
MethodsX-ray diffraction
Resolution2.217 Å
Structure data

PDB-5ime:
Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
Method: X-RAY DIFFRACTION / Resolution: 2.217 Å

Chemicals

ChemComp-6BZ:
8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / transferase-transferase inhibitor complex

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