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Structure paper

TitleDynamic undocking and the quasi-bound state as tools for drug discovery.
Journal, issue, pagesNat Chem, Vol. 9, Page 201-206, Year 2017
Publish dateNov 13, 2015 (structure data deposition date)
AuthorsRuiz-Carmona, S. / Schmidtke, P. / Luque, F.J. / Baker, L. / Matassova, N. / Davis, B. / Roughley, S. / Murray, J. / Hubbard, R. / Barril, X.
External linksNat Chem / PubMed:28221352
MethodsX-ray diffraction
Resolution2 - 2.2 Å
Structure data

PDB-5fnc:
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5fnd:
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5fnf:
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-IEE:
6-CHLORO-4-N-[(4-METHYLPHENYL)METHYL]PYRIMIDINE- 2,4-DIAMINE

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-IQ5:
N-(2-AZANYL-6-METHYL-1,3-BENZOTHIAZOL-5-YL)ETHANAMIDE

ChemComp-TQL:
4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol

Source
  • homo sapiens (human)
KeywordsCHAPERONE / HSP90 / DRUG DESIGN / ONCOLOGY

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