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TitleIdentification of Type-II Inhibitors Using Kinase Structures.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 80, Page 657-664, Year 2012
Publish dateSep 16, 2011 (structure data deposition date)
AuthorsLovering, F. / McDonald, J. / Whitlock, G.A. / Glossop, P.A. / Phillips, C. / Bent, A. / Sabnis, Y. / Ryan, M. / Fitz, L. / Lee, J. ...Lovering, F. / McDonald, J. / Whitlock, G.A. / Glossop, P.A. / Phillips, C. / Bent, A. / Sabnis, Y. / Ryan, M. / Fitz, L. / Lee, J. / Chang, J.S. / Han, S. / Kurumbail, R. / Thorarensen, A.
External linksChem. Biol. Drug Des. / PubMed:22759374
MethodsX-ray diffraction
Resolution2.1 - 2.33 Å
Structure data

PDB-3tub:
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-3tuc:
Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3tud:
Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

Chemicals

ChemComp-FPU:
1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea

ChemComp-HOH:
WATER

ChemComp-FPW:
1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide

ChemComp-FPX:
N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide

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

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