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Structure paper

TitleDesign strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 3557-3562, Year 2011
Publish dateApr 20, 2011 (structure data deposition date)
AuthorsKung, P.P. / Sinnema, P.J. / Richardson, P. / Hickey, M.J. / Gajiwala, K.S. / Wang, F. / Huang, B. / McClellan, G. / Wang, J. / Maegley, K. ...Kung, P.P. / Sinnema, P.J. / Richardson, P. / Hickey, M.J. / Gajiwala, K.S. / Wang, F. / Huang, B. / McClellan, G. / Wang, J. / Maegley, K. / Bergqvist, S. / Mehta, P.P. / Kania, R.
External linksBioorg. Med. Chem. Lett. / PubMed:21612924
MethodsX-ray diffraction
Resolution1.7 - 1.9 Å
Structure data

PDB-3rlp:
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3rlq:
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5- carbonitrile
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3rlr:
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-3RP:
4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-3RQ:
4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

ChemComp-3RR:
4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Source
  • homo sapiens (human)
KeywordsCHAPERONE

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