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Structure paper

TitleDynamics of human protein kinase Aurora A linked to drug selectivity.
Journal, issue, pagesElife, Vol. 7, Year 2018
Publish dateMar 13, 2018 (structure data deposition date)
AuthorsPitsawong, W. / Buosi, V. / Otten, R. / Agafonov, R.V. / Zorba, A. / Kern, N. / Kutter, S. / Kern, G. / Padua, R.A. / Meniche, X. / Kern, D.
External linksElife / PubMed:29901437
MethodsX-ray diffraction
Resolution2.3 - 2.8 Å
Structure data

PDB-6cpe:
Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-6cpf:
Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6cpg:
Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-P4G:
1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE

ChemComp-HOH:
WATER

ChemComp-ACP:
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / AMP-PCP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-35R:
1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsTRANSFERASE / protein kinase / DFG-loop / cell cycle / transferase/inhibitor / monobody / AT9283 / transferase-inhibitor complex

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