5U8F

Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine

5U8F の概要

関連するPDBエントリー5u8a
分子名称Polycomb protein EED, (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine (3 entities in total)
機能のキーワードwd40 prc2, protein binding-inhibitor complex, protein binding/inhibitor
由来する生物種Homo sapiens (Human)
細胞内の位置Nucleus O75530
ポリマー鎖数1
分子量合計42960.98
構造登録者
Jakob, C.G.,Zhu, H. (登録日: 2016-12-14, 公開日: 2017-03-15, 最終更新日: 2017-03-22)
主引用文献
Curtin, M.L.,Pliushchev, M.A.,Li, H.Q.,Torrent, M.,Dietrich, J.D.,Jakob, C.G.,Zhu, H.,Zhao, H.,Wang, Y.,Ji, Z.,Clark, R.F.,Sarris, K.A.,Selvaraju, S.,Shaw, B.,Algire, M.A.,He, Y.,Richardson, P.L.,Sweis, R.F.,Sun, C.,Chiang, G.G.,Michaelides, M.R.
SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27:1576-1583, 2017
PubMed: 28254486 (主引用文献が同じPDBエントリー)
DOI: 10.1016/j.bmcl.2017.02.030
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.343 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.17610.3%0.6%0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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