2WI4

Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone

2WI4 の概要

関連するPDBエントリー2CDD 1YES 1UY9 1BYQ 1OSF 2BSM 1UY8 2BUG 2UWD 2BT0 1YER 1UYG 2BZ5 2CCU 2CCS 1UYI 1YC3 1UYF 1UYD 2BYI 1UY6 2VCI 2VCJ 1YC4 2C2L 1UYK 1UYH 2CCT 1UYE 1UYL 1YC1 1UY7 1UYC 1YET 2JJC 2BYH 2WI2 2WI7 2WI6 2WI3 2WI1 2WI5
分子名称HEAT SHOCK PROTEIN, HSP 90-ALPHA, 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine (3 entities in total)
機能のキーワードpu3, hsp90, atpase, chaperone, heat shock, stress response, nucleotide-binding, atp-binding, phosphoprotein, phosphorylation
由来する生物種HOMO SAPIENS (HUMAN)
細胞内の位置Cytoplasm P07900
ポリマー鎖数1
分子量合計26945.97
構造登録者
主引用文献
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 (主引用文献が同じPDBエントリー)
DOI: 10.1021/JM900357Y
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.4 Å)
NMR情報
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.242211.9%6.7%6.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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