Brand  (β version)

PDB ID: 3R91

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Ligands
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06H (6s)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide PoSSuM
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Structure summary

Code : 3R91   PDBj   RCSB PDB   PDBe
Header : CHAPERONE/CHAPERONE INHIBITOR
Title : Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
Release Data : 2011-05-11
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: N-terminal domain, UNP RESIDUES 10-236
mutation: Delta 16
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: HSP90A, HSP90AA1, HSPC1, HSPCA
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET28A
Authors : Zapf, C.W., Bloom, J.D., McBean, J.L., Dushin, R.G., Nittoli, T., Otteng, M., Ingalls, C., Golas, J.M., Liu, H., Lucas, J., Boschelli, F., Vogan, E., Hu, Y., Levin, J.I.
Keywords : Chaperone, ATP binding domain, ATP-binding, Nucleotide-binding, Phosphoprotein, Stress response, CHAPERONE-CHAPERONE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.579 Å )
Citation :

Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.

Zapf, C.W.,Bloom, J.D.,McBean, J.L.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 3411 - 3416

PubMed: 21515049
DOI: 10.1016/j.bmcl.2011.03.112

Reaction

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