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-Structure paper
Title | Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. |
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Journal, issue, pages | Acs Med. Chem. Lett., Vol. 6, Page 776-781, Year 2015 |
Publish date | Apr 29, 2015 (structure data deposition date) |
Authors | Karpov, A.S. / Amiri, P. / Bellamacina, C. / Bellance, M.H. / Breitenstein, W. / Daniel, D. / Denay, R. / Fabbro, D. / Fernandez, C. / Galuba, I. ...Karpov, A.S. / Amiri, P. / Bellamacina, C. / Bellance, M.H. / Breitenstein, W. / Daniel, D. / Denay, R. / Fabbro, D. / Fernandez, C. / Galuba, I. / Guerro-Lagasse, S. / Gutmann, S. / Hinh, L. / Jahnke, W. / Klopp, J. / Lai, A. / Lindvall, M.K. / Ma, S. / Mobitz, H. / Pecchi, S. / Rummel, G. / Shoemaker, K. / Trappe, J. / Voliva, C. / Cowan-Jacob, S.W. / Marzinzik, A.L. |
External links | Acs Med. Chem. Lett. / PubMed:26191365 |
Methods | X-ray diffraction |
Resolution | 1.99 - 2.5 Å |
Structure data | PDB-4zji: PDB-4zjj: PDB-4zlo: |
Chemicals | ChemComp-4OQ: ChemComp-MG: ChemComp-HOH: ChemComp-4OR: ChemComp-4PV: ChemComp-GOL: |
Source |
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Keywords | TRANSFERASE / Inhibitor / kinase / PAK1 / allosteric / Transferase/transferase inhibitor / dibenzodazepine / allosteric inhibitor / Transferase-transferase inhibitor complex |