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Structure paper

Title4-Amino derivatives of the Hsp90 inhibitor CCT018159.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 2543-2548, Year 2006
Publish dateJan 18, 2006 (structure data deposition date)
AuthorsBarril, X. / Beswick, M.C. / Collier, A. / Drysdale, M.J. / Dymock, B.W. / Fink, A. / Grant, K. / Howes, R. / Jordan, A.M. / Massey, A. ...Barril, X. / Beswick, M.C. / Collier, A. / Drysdale, M.J. / Dymock, B.W. / Fink, A. / Grant, K. / Howes, R. / Jordan, A.M. / Massey, A. / Surgenor, A. / Wayne, J. / Workman, P. / Wright, L.
External linksBioorg. Med. Chem. Lett. / PubMed:16480864
MethodsX-ray diffraction
Resolution1.79 - 2.7 Å
Structure data

PDB-2ccs:
HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)- BENZENE-1,2-DIOL
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-2cct:
HUMAN HSP90 WITH 5-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL- 2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2ccu:
HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)- PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-4BH:
4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL

ChemComp-HOH:
WATER

ChemComp-2E1:
5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE

ChemComp-2D9:
4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL

Source
  • homo sapiens (human)
KeywordsCHAPERONE / HEAT-SHOCK PROTEIN-COMPLEX / HSP90 / ATPASE / PYRAZOLE / ATP-BINDING / HEAT SHOCK / NUCLEOTIDE-BINDING / PHOSPHORYLATION / HEAT-SHOCK PROTEIN COMPLEX

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