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Ligands
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99B 5-[(2r)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
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Code : 4AWO   PDBj   RCSB PDB   PDBe
Header : CHAPERONE
Title : Complex of HSP90 ATPase domain with tropane derived inhibitors
Release Data : 2012-08-29
Compound :
mol_id molecule chains synonym
1 HEAT SHOCK PROTEIN HSP 90-ALPHA A,B HSP90, HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMA ANTIGEN NY-REN-38
ec: 3.6.4.10
fragment: ATPASE DOMAIN, RESIDUES 9-236
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:562)
Authors : Lougheed, J.C., Stout, T.J.
Keywords : CHAPERONE
Exp. method : X-RAY DIFFRACTION ( 1.70 Å )
Citation :

Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.

Bussenius, J.,Blazey, C.M.,Aay, N.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 5396

PubMed: 22877636
DOI: 10.1016/J.BMCL.2012.07.052

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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