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Structure paper

TitleMolecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 109, Page 18281-, Year 2012
Publish dateJan 24, 2012 (structure data deposition date)
AuthorsMctigue, M. / Murray, B.W. / Chen, J.H. / Deng, Y. / Solowiej, J. / Kania, R.S.
External linksProc. Natl. Acad. Sci. USA / PubMed:22988103
MethodsX-ray diffraction
Resolution1.83 - 2.81 Å
Structure data

PDB-4ag8:
CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl-vinyl)-1H- indazol-6-ylsulfanyl)-benzamide)
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4agc:
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl- vinyl)-1H-indazol-6-ylsulfanyl)-benzamide)
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4agd:
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide)
Method: X-RAY DIFFRACTION / Resolution: 2.81 Å

PDB-4asd:
Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006)
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-4ase:
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951)
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

Chemicals

ChemComp-AXI:
AXITINIB / inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-B49:
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo / medication, anticancer, inhibitor*YM

ChemComp-BAX:
4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE / inhibitor*YM

ChemComp-AV9:
TIVOZANIB / medication, inhibitor*YM

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ANGIOGENESIS / NUCLEOTIDE-BINDING / INHIBITOR / PHOSPHORYLATION / TRANSMEMBRANE / RECEPTOR / KDR / SIGNALING PROTEIN

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