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Structure paper

TitleOvercoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
Journal, issue, pagesTo be Published
Publish dateSep 27, 2011 (structure data deposition date)
AuthorsRichters, A. / Getlik, M. / Gruetter, C. / Schneider, R. / Heuckmann, J.M. / Heynck, S. / Sos, M.L. / Thomas, R.K. / Rauh, D.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.7 - 3.3 Å
Structure data

PDB-3tz7:
Kinase domain of cSrc in complex with RL103
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

PDB-3tz8:
Kinase domain of cSrc in complex with RL104
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-3tz9:
Kinase domain of cSrc in complex with RL130
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-AQB:
N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide

ChemComp-AQM:
N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide

ChemComp-HOH:
WATER

ChemComp-AQU:
1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea

Source
  • gallus gallus (chicken)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Type II / Allosteric / DFG-out / Drug resistance mutations / Tyrosin-protein kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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