2VCI

4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer

Summary for 2VCI

Related1OSF 1UY8 1UY9 1UYD 1UYE 1UYH 1UYI 1UYL 1YC4 2BT0 2BUG 2BYH 2BZ5 2C2L 2CCS 2CCT 2CCU 2CDD 2UWD 1BYQ 1UY6 1UY7 1UYC 1UYF 1UYG 1UYK 1YC1 1YC3 2BSM 2BYI 2VCJ
DescriptorHEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE (3 entities in total)
Functional Keywordsalternative splicing, atp-binding, phosphorylation, cytoplasm, chaperone, stress response, nucleotide-binding
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus  P07900
Total number of polymer chains1
Total molecular weight27067.31
Authors
Primary citation
Brough, P.A.,Aherne, W.,Barril, X.,Borgognoni, J.,Boxall, K.,Cansfield, J.E.,Cheung, K.M.,Collins, I.,Davies, N.G.,Drysdale, M.J.,Dymock, B.,Eccles, S.A.,Finch, H.,Fink, A.,Hayes, A.,Howes, R.,Hubbard, R.E.,James, K.,Jordan, A.M.,Lockie, A.,Martins, V.,Massey, A.,Matthews, T.P.,McDonald, E.,Northfield, C.J.,Pearl, L.H.,Prodromou, C.,Ray, S.,Raynaud, F.I.,Roughley, S.D.,Sharp, S.Y.,Surgenor, A.,Walmsley, D.L.,Webb, P.,Wood, M.,Workman, P.,Wright, L.
4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer.
J. Med. Chem., 51:196-218, 2008
PubMed: 18020435 (PDB entries with the same primary citation)
DOI: 10.1021/jm701018h
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers81.0%2.2%1.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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Molmil generated image of 2vci
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More Biological unit images

Molmil generated image of 2vci
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Molmil generated image of 2vci
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Molmil generated image of 2vci
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (2vci.pdb1.gz [78.01 KB])