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Structure paper

TitleA biophysical framework for double-drugging kinases.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 120, Page e2304611120-e2304611120, Year 2023
Publish dateMay 8, 2023 (structure data deposition date)
AuthorsKim, C. / Ludewig, H. / Hadzipasic, A. / Kutter, S. / Nguyen, V. / Kern, D.
External linksProc. Natl. Acad. Sci. USA / PubMed:37590418
MethodsX-ray diffraction
Resolution1.97 - 2.86 Å
Structure data

PDB-8ssn:
Abl kinase in complex with SKI and asciminib
Method: X-RAY DIFFRACTION / Resolution: 2.86 Å

PDB-8sso:
AurA bound to danusertib and inhibiting monobody Mb2
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-8ssp:
AurA bound to danusertib and activating monobody Mb1
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-AY7:
asciminib / medication, inhibitor*YM

ChemComp-SKI:
6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ACT:
ACETATE ION

ChemComp-627:
N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE

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

ChemComp-PO4:
PHOSPHATE ION

ChemComp-PDO:
1,3-PROPANDIOL

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsTRANSFERASE / Complex / Kinase / double drugging / Monobody

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