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TitleStructural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Journal, issue, pagesInt J Mol Sci, Vol. 23, Year 2022
Publish dateJul 20, 2022 (structure data deposition date)
AuthorsTassone, G. / Mazzorana, M. / Mangani, S. / Petricci, E. / Cini, E. / Giannini, G. / Pozzi, C. / Maramai, S.
External linksInt J Mol Sci / PubMed:36012721
MethodsX-ray diffraction
Resolution2.1 - 2.32 Å
Structure data

PDB-8agi:
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8agj:
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-8agl:
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-M0U:
1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCHAPERONE / Hsp90 / NTD / 1 / 2 / 3-triazole-based compound / complex / K112A / K112R

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