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Structure paper

TitleFluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 132, Page 4152-4160, Year 2010
Publish dateJun 13, 2009 (structure data deposition date)
AuthorsSimard, J.R. / Getlik, M. / Grutter, C. / Schneider, R. / Wulfert, S. / Rauh, D.
External linksJ. Am. Chem. Soc. / PubMed:20201574
MethodsX-ray diffraction
Resolution1.8 - 2.35 Å
Structure data

PDB-3hub:
Human p38 MAP Kinase in Complex with Scios-469
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-3huc:
Human p38 MAP Kinase in Complex with RL40
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3l8s:
Human p38 MAP Kinase in Complex with CP-547632
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-469:
2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

ChemComp-HOH:
WATER

ChemComp-G97:
N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-BFF:
3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / DFG-in / Glycine-Rich Loop / Scios-469 / Alternative splicing / ATP-binding / Cytoplasm / Kinase / Nucleotide-binding / Nucleus / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase / DFG-out / CP-547632

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