2WI3

Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone

2WI3 の概要

関連するPDBエントリー1YES 1UY9 2CDD 1BYQ 1OSF 2BSM 1UY8 2BUG 2UWD 2BT0 1YER 1UYG 2CCU 2BZ5 2CCS 1UYF 1YC3 1UYI 1UYD 2BYI 1UY6 2VCI 2VCJ 1YC4 2C2L 1UYH 1UYK 2CCT 1UYL 1UYE 1YC1 1UY7 1UYC 1YET 2JJC 2BYH 2WI1 2WI2 2WI4 2WI5 2WI6 2WI7
分子名称HEAT SHOCK PROTEIN, HSP 90-ALPHA, MAGNESIUM ION, 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, ... (4 entities in total)
機能のキーワードchaperone, heat shock, stress response, nucleotide-binding
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26782.29
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 (1.9 Å)
NMR情報
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23070.5%0.6%3.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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