5UPF

Crystal structure of human NAMPT with isoindoline urea inhibitor compound 53

5UPF の概要

関連するPDBエントリー5UPE
分子名称Nicotinamide phosphoribosyltransferase, 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide (3 entities in total)
機能のキーワードnampt inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
由来する生物種Homo sapiens (Human)
細胞内の位置Nucleus  P43490
ポリマー鎖数2
分子量合計114030.76
構造登録者
Longenecker, K.L.,Raich, D.,Korepanova, A.V. (登録日: 2017-02-02, 公開日: 2017-06-28, 最終更新日: 2018-03-21)
主引用文献
Curtin, M.L.,Heyman, H.R.,Clark, R.F.,Sorensen, B.K.,Doherty, G.A.,Hansen, T.M.,Frey, R.R.,Sarris, K.A.,Aguirre, A.L.,Shrestha, A.,Tu, N.,Woller, K.,Pliushchev, M.A.,Sweis, R.F.,Cheng, M.,Wilsbacher, J.L.,Kovar, P.J.,Guo, J.,Cheng, D.,Longenecker, K.L.,Raich, D.,Korepanova, A.V.,Soni, N.B.,Algire, M.A.,Richardson, P.L.,Marin, V.L.,Badagnani, I.,Vasudevan, A.,Buchanan, F.G.,Maag, D.,Chiang, G.G.,Tse, C.,Michaelides, M.R.
SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27:3317-3325, 2017
PubMed: 28610984 (主引用文献が同じPDBエントリー)
DOI: 10.1016/j.bmcl.2017.06.018
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.69 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24810.1%3.1%3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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