2W1E

Structure determination of Aurora Kinase in complex with inhibitor

2W1E の概要

関連するPDBエントリー1MUO 2J50 2W1D 1OL7 1OL6 2BMC 2C6E 2J4Z 1OL5 2C6D 1MQ4 2W1G 2W1F 2W1I 2W1C
分子名称SERINE/THREONINE-PROTEIN KINASE 6, 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM (3 entities in total)
機能のキーワードnucleotide-binding, serine/threonine-protein kinase, transferase, atp-binding, polymorphism, phosphoprotein, kinase, cancer, aurora, inhibitor, cell cycle
由来する生物種HOMO SAPIENS (HUMAN)
ポリマー鎖数1
分子量合計32576.41
構造登録者
主引用文献
Howard, S.,Berdini, V.,Boulstridge, J.A.,Carr, M.G.,Cross, D.M.,Curry, J.,Devine, L.A.,Early, T.R.,Fazal, L.,Gill, A.L.,Heathcote, M.,Maman, S.,Matthews, J.E.,Mcmenamin, R.L.,Navarro, E.F.,O'Brien, M.A.,O'Reilly, M.,Rees, D.C.,Reule, M.,Tisi, D.,Williams, G.,Vinkovic, M.,Wyatt, P.G.
Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52:379-, 2009
PubMed: 19143567 (主引用文献が同じPDBエントリー)
DOI: 10.1021/JM800984V
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.93 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.30323 2.0% 9.0% 9.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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