Brand  (β version)

PDB ID: 4O07

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Ligands
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FGH 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one PoSSuM
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Structure summary

Code : 4O07   PDBj   RCSB PDB   PDBe
Header : CHAPERONE/CHAPERONE INHIBITOR
Title : Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington'S disease
Release Data : 2014-04-09
Compound :
mol_id molecule chains synonym
1 Heat shock protein HSP 90-alpha A Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38
fragment: UNP residues 9-236
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: HSP90AA1, HSP90A, HSPC1, HSPCA
expression_system_common: Fall armyworm
Authors : Zuccola, H.J., Ernst, J.T.
Keywords : chaperone, CHAPERONE-CHAPERONE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.8600 Å )
Citation :

Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.

Ernst, J.T.,Neubert, T.,Liu, M.  et al.
(2014)  J.Med.Chem.  57 : 3382 - 3400

PubMed: 24673104
DOI: 10.1021/jm500042s

Reaction

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