Brand  (β version)

PDB ID: 2BT0

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Ligands
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CT5 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol PoSSuM
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Structure summary

Code : 2BT0   PDBj   RCSB PDB   PDBe
Header : CHAPERONE
Title : Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design
Release Data : 2005-06-02
Compound :
mol_id molecule chains synonym
1 HEAT SHOCK PROTEIN HSP90-ALPHA A,B HSP 86
fragment: N-TERMINAL DOMAIN, RESIDUES 1-235
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
organ: SKIN
tissue: MELANOMA
expression_system_strain: BL21(DE3)
expression_system_plasmid: PET19
Authors : Dymock, B.W., Barril, X., Brough, P.A., Cansfield, J.E., Massey, A., McDonald, E., Hubbard, R.E., Surgenor, A., Roughley, S.D., Webb, P., Workman, P., Wright, L., Drysdale, M.J.
Keywords : ATP-BINDING, CHAPERONE, HEAT SHOCK, PHOSPHORYLATION
Exp. method : X-RAY DIFFRACTION ( 1.90 Å )
Citation :

Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design.

Dymock, B.W.,Barril, X.,Brough, P.A.  et al.
(2005)  J. Med. Chem.  48 : 4212 - 4215

PubMed: 15974572
DOI: 10.1021/jm050355z

Reaction

Chain : A, B
UniProt : P07900 (HS90A_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + H(+) + phosphate 3.6.4.10 PubMed:12526792
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