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TitleBack Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 1033-1045, Year 2014
Publish dateDec 14, 2013 (structure data deposition date)
AuthorsStaben, S.T. / Feng, J.A. / Lyle, K. / Belvin, M. / Boggs, J. / Burch, J.D. / Chua, C.C. / Cui, H. / Dipasquale, A.G. / Friedman, L.S. ...Staben, S.T. / Feng, J.A. / Lyle, K. / Belvin, M. / Boggs, J. / Burch, J.D. / Chua, C.C. / Cui, H. / Dipasquale, A.G. / Friedman, L.S. / Heise, C. / Koeppen, H. / Kotey, A. / Mintzer, R. / Oh, A. / Roberts, D.A. / Rouge, L. / Rudolph, J. / Tam, C. / Wang, W. / Xiao, Y. / Young, A. / Zhang, Y. / Hoeflich, K.P.
External linksJ. Med. Chem. / PubMed:24432870
MethodsX-ray diffraction
Resolution2.2 - 2.8 Å
Structure data

PDB-4o0r:
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4o0t:
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4o0v:
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4o0x:
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.483 Å

PDB-4o0y:
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-7KC:
PF-3758309

ChemComp-HOH:
WATER

ChemComp-2OL:
1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol

ChemComp-2OQ:
1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol

ChemComp-2OO:
4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / PAK1 / transferase-transferase inhibitor complex / PAK4

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