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Structure paper

TitleTargeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Journal, issue, pagesAcs Chem. Biol., Vol. 15, Page 657-668, Year 2020
Publish dateAug 8, 2019 (structure data deposition date)
AuthorsBauer, M.R. / Kramer, A. / Settanni, G. / Jones, R.N. / Ni, X. / Khan Tareque, R. / Fersht, A.R. / Spencer, J. / Joerger, A.C.
External linksAcs Chem. Biol. / PubMed:31990523
MethodsX-ray diffraction
Resolution1.24 - 1.8 Å
Structure data

PDB-6shz:
p53 cancer mutant Y220C
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-6si0:
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-6si1:
p53 cancer mutant Y220H
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-6si2:
p53 cancer mutant Y220S
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-6si3:
p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9301
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-6si4:
p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9323
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-LEK:
1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-LEB:
1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine

Source
  • homo sapiens (human)
KeywordsDNA BINDING PROTEIN / p53 / transcription factor / tumor suppressor / cancer therapy / oncogenic mutant / druggable surface crevice / protein misfolding / mutant p53 rescue / DNA-binding domain / small-molecule stabilizer / Structural Genomics / Structural Genomics Consortium / SGC

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