View source for 2ccu

[[Image:2ccu.gif|left|200px]]

 {{Structure
|PDB= 2ccu |SIZE=350|CAPTION= <scene name='initialview01'>2ccu</scene>, resolution 2.70&Aring;
|SITE= <scene name='pdbsite=AC1:2d9+Binding+Site+For+Chain+A'>AC1</scene>
|LIGAND= <scene name='pdbligand=2D9:4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL'>2D9</scene>
|ACTIVITY= 
|GENE= 
|DOMAIN=
|RELATEDENTRY=
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ccu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ccu OCA], [http://www.ebi.ac.uk/pdbsum/2ccu PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2ccu RCSB]</span>
}}

'''HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)-PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL'''


==Overview==
Novel piperazinyl, morpholino and piperidyl derivatives of the pyrazole-based Hsp90 inhibitor CCT018159 are described. Structure-activity relationships have been elucidated by X-ray co-crystal analysis of the new compounds bound to the N-terminal domain of human Hsp90. Key features of the binding mode are essentially identical to the recently reported potent analogue VER-49009. The most potent of the new compounds has a methylsulfonylbenzyl substituent appended to the piperazine nitrogen, possesses an IC50 of less than 600 nM binding against the enzyme and demonstrates low micromolar inhibition of tumour cell proliferation.

==About this Structure==
2CCU is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CCU OCA]. 

==Reference==
4-Amino derivatives of the Hsp90 inhibitor CCT018159., Barril X, Beswick MC, Collier A, Drysdale MJ, Dymock BW, Fink A, Grant K, Howes R, Jordan AM, Massey A, Surgenor A, Wayne J, Workman P, Wright L, Bioorg Med Chem Lett. 2006 May 1;16(9):2543-8. Epub 2006 Feb 9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16480864 16480864]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Barril, X.]]
[[Category: Beswick, M C.]]
[[Category: Collier, A.]]
[[Category: Drysdale, M J.]]
[[Category: Dymock, B W.]]
[[Category: Fink, A.]]
[[Category: Grant, K.]]
[[Category: Howes, R.]]
[[Category: Jordan, A M.]]
[[Category: Massey, A.]]
[[Category: Surgenor, A.]]
[[Category: Wayne, J.]]
[[Category: Workman, P.]]
[[Category: Wright, L.]]
[[Category: atp-binding]]
[[Category: atpase]]
[[Category: chaperone]]
[[Category: heat shock]]
[[Category: hsp90]]
[[Category: nucleotide-binding]]
[[Category: phosphorylation]]
[[Category: pyrazole]]

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