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Structure paper

TitleStructural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
Journal, issue, pagesJ. Biol. Chem., Vol. 284, Page 13193-13201, Year 2009
Publish dateJan 26, 2009 (structure data deposition date)
AuthorsHan, S. / Mistry, A. / Chang, J.S. / Cunningham, D. / Griffor, M. / Bonnette, P.C. / Wang, H. / Chrunyk, B.A. / Aspnes, G.E. / Walker, D.P. ...Han, S. / Mistry, A. / Chang, J.S. / Cunningham, D. / Griffor, M. / Bonnette, P.C. / Wang, H. / Chrunyk, B.A. / Aspnes, G.E. / Walker, D.P. / Brosius, A.D. / Buckbinder, L.
External linksJ. Biol. Chem. / PubMed:19244237
MethodsX-ray diffraction
Resolution1.75 - 2.7 Å
Structure data

PDB-3fzo:
Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3fzp:
Crystal structure of PYK2 complexed with ATPgS
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3fzr:
Crystal structure of PYK2 complexed with PF-431396
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-3fzs:
Crystal Structure of PYK2 complexed with BIRB796
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3fzt:
Crystal structure of PYK2 complexed with PF-4618433
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-AGS:
PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER / ATP-gamma-S, energy-carrying molecule analogue*YM

ChemComp-SO4:
SULFATE ION

ChemComp-3JZ:
N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide

ChemComp-PO4:
PHOSPHATE ION

ChemComp-B96:
1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA

ChemComp-4JZ:
1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / tyrosine kinase / dfg-out / Alternative splicing / ATP-binding / Cell membrane / Cytoplasm / Kinase / Membrane / Nucleotide-binding / Phosphoprotein / Polymorphism / Tyrosine-protein kinase / ATPgS / DFG / PYK2

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