Het-PDB Navi2 (PDB: 4FCR)

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Ligands
Code	Name		Style	Show	Link
0TM	2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7h-pyrrolo[2,3-D]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide				PoSSuM

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Download interaction data: 4FCR

Code :

4FCR PDBj RCSB PDB PDBe

Header :

CHAPERONE/CHAPERONE INHIBITOR

Title :

Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-D]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization

Release Data :

2012-10-24

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

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:469008)
	gene: HSP90AA1, HSP90A, HSPC1, HSPCA expression_system_strain: Bl21(DE3) expression_system_vector_type: plasmid expression_system_plasmid: PET19

Authors :

Davies, N.G., Browne, H., Davis, B., Foloppe, N., Geoffrey, S., Gibbons, B., Hart, T., Drysdale, M.J., Mansell, H., Massey, A., Matassova, N., Moore, J.D., Murray, J., Pratt, R., Ray, S., Roughley, S.D., Jensen, M.R., Schoepfer, J., Scriven, K., Simmonite, H., Stokes, S., Surgenor, A., Webb, P., Wright, L., Brough, P.

Keywords :

Heat Shock Protein, Hsp90, ATPase, Fragments, Structure-based design, CHAPERONE-CHAPERONE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.698 Å )

Citation :

Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.

Davies, N.G.,Browne, H.,Davis, B. et al.
(2012) Bioorg.Med.Chem. 20 : 6770 - 6789

PubMed: 23018093
DOI: 10.1016/j.bmc.2012.08.050

PDB ID: 4FCR

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