3NEW

p38-alpha complexed with Compound 10

3NEW の概要

分子名称Mitogen-activated protein kinase 14, 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one (2 entities in total)
機能のキーワードkinase, ser/thr kinase, intracellular, transferase-transferase inhibitor complex, transferase/transferase inhibitor
由来する生物種Homo sapiens (human)
細胞内の位置Cytoplasm (By similarity) Q16539
ポリマー鎖数1
分子量合計42330.09
構造登録者
Goedken, E.R.,Comess, K.M.,Sun, C.,Argiriadi, M.,Jia, Y.,Quinn, C.M.,Banach, D.L.,Marcotte, D.,Borhani, D. (登録日: 2010-06-09, 公開日: 2010-12-01, 最終更新日: 2011-07-13)
主引用文献
Comess, K.M.,Sun, C.,Abad-Zapatero, C.,Goedken, E.R.,Gum, R.J.,Borhani, D.W.,Argiriadi, M.,Groebe, D.R.,Jia, Y.,Clampit, J.E.,Haasch, D.L.,Smith, H.T.,Wang, S.,Song, D.,Coen, M.L.,Cloutier, T.E.,Tang, H.,Cheng, X.,Quinn, C.,Liu, B.,Xin, Z.,Liu, G.,Fry, E.H.,Stoll, V.,Ng, T.I.,Banach, D.,Marcotte, D.,Burns, D.J.,Calderwood, D.J.,Hajduk, P.J.
Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6:234-244, 2011
PubMed: 21090814 (主引用文献が同じPDBエントリー)
DOI: 10.1021/cb1002619
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.51 Å)
NMR情報
?

構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.302131.5%7.2%2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
検証レポート(詳細版)をダウンロード