2WI1

Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone

Summary for 2WI1

Related1YES 1UY9 2CDD 1BYQ 1OSF 2BSM 1UY8 2BUG 2UWD 2BT0 1YER 1UYG 2CCU 2BZ5 2CCS 1UYF 1UYI 1YC3 1UYD 2BYI 1UY6 2VCI 2VCJ 1YC4 2C2L 1UYH 1UYK 2CCT 1UYL 1UYE 1YC1 1UYC 1UY7 1YET 2JJC 2BYH 2WI4 2WI2 2WI7 2WI6 2WI3 2WI5
DescriptorHEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, ... (4 entities in total)
Functional Keywordspu3, hsp90, atpase, chaperone, heat shock, stress response, nucleotide-binding, atp-binding, phosphoprotein, phosphorylation
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm P07900
Total number of polymer chains1
Total molecular weight26809.29
Authors
Primary citation
Brough, P.A.,Barril, X.,Borgognoni, J.,Chene, P.,Davies, N.G.M.,Davis, B.,Drysdale, M.J.,Dymock, B.,Eccles, S.A.,Garcia-Echeverria, C.,Fromont, C.,Hayes, A.,Hubbard, R.E.,Jordan, A.M.,Jensen, M.R.,Massey, A.,Merrett, A.,Padfield, A.,Parsons, R.,Radimerski, T.,Raynaud, F.I.,Robertson, A.,Roughley, S.D.,Schoepfer, J.,Simmonite, H.,Sharp, S.Y.,Surgenor, A.,Valenti, M.,Walls, S.,Webb, P.,Wood, M.,Workman, P.,Wright, L.M.
Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52:4794-, 2009
PubMed: 19610616 (PDB entries with the same primary citation)
DOI: 10.1021/JM900357Y
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.3 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.269171.0%1.7%11.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2wi1
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Molmil generated image of 2wi1
rotated about x axis by 90°
Molmil generated image of 2wi1
rotated about y axis by 90°