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Structure paper

TitleIdentification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification.
Journal, issue, pagesBioorg. Med. Chem., Vol. 14, Page 1792-, Year 2006
Publish dateOct 10, 2005 (structure data deposition date)
AuthorsFoloppe, N. / Fisher, L.M. / Francis, G. / Howes, R. / Kierstan, P. / Potter, A.
External linksBioorg. Med. Chem. / PubMed:16289938
MethodsX-ray diffraction
Resolution2.1 - 2.6 Å
Structure data

PDB-2c3j:
Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2c3k:
Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2c3l:
Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-DBQ:
DEBROMOHYMENIALDISINE

ChemComp-SO3:
SULFITE ION

ChemComp-HOH:
WATER

ChemComp-ABO:
4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL

ChemComp-IDZ:
3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / DRUG DESIGN / MOLECULAR MODELING / MOLECULAR RECOGNITION / ONCOLOGY / CELL CYCLE / DNA DAMAGE / DNA REPAIR / ATP-BINDING / KINASE / NUCLEAR PROTEIN / NUCLEOTIDE-BINDING / PHOSPHORYLATION / POLYMORPHISM / SERINE/THREONINE-PROTEIN KINASE / UBL CONJUGATION

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