3KB7

Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor

3KB7 の概要

分子名称Serine/threonine-protein kinase PLK1, 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, ZINC ION, ... (5 entities in total)
機能のキーワードprotein kinase, atp-binding, cell cycle, cell division, kinase, mitosis, nucleotide-binding, nucleus, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase
由来する生物種Homo sapiens (human)
細胞内の位置Nucleus P53350
ポリマー鎖数1
分子量合計36323.56
構造登録者
Bossi, R.T.,Bertrand, J.A. (登録日: 2009-10-20, 公開日: 2010-05-19, 最終更新日: 2011-07-13)
主引用文献
Beria, I.,Ballinari, D.,Bertrand, J.A.,Borghi, D.,Bossi, R.T.,Brasca, M.G.,Cappella, P.,Caruso, M.,Ceccarelli, W.,Ciavolella, A.,Cristiani, C.,Croci, V.,De Ponti, A.,Fachin, G.,Ferguson, R.D.,Lansen, J.,Moll, J.K.,Pesenti, E.,Posteri, H.,Perego, R.,Rocchetti, M.,Storici, P.,Volpi, D.,Valsasina, B.
Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors
J.Med.Chem., 53:3532-3551, 2010
PubMed: 20397705 (主引用文献が同じPDBエントリー)
DOI: 10.1021/jm901713n
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.5 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.29490.3%3.5%0.7%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