6H4O

Crystal structure of human KDM4A in complex with compound 18a

6H4O の概要

分子名称Lysine-specific demethylase 4A, ZINC ION, 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, ... (7 entities in total)
機能のキーワードhistone demethylase, inhibitor, transcription, oxidoreductase
由来する生物種Homo sapiens (Human)
ポリマー鎖数4
分子量合計170305.13
構造登録者
Le Bihan, Y.V.,van Montfort, R.L.M. (登録日: 2018-07-23, 公開日: 2019-06-12)
主引用文献
Le Bihan, Y.V.,Lanigan, R.M.,Atrash, B.,McLaughlin, M.G.,Velupillai, S.,Malcolm, A.G.,England, K.S.,Ruda, G.F.,Mok, N.Y.,Tumber, A.,Tomlin, K.,Saville, H.,Shehu, E.,McAndrew, C.,Carmichael, L.,Bennett, J.M.,Jeganathan, F.,Eve, P.,Donovan, A.,Hayes, A.,Wood, F.,Raynaud, F.I.,Fedorov, O.,Brennan, P.E.,Burke, R.,van Montfort, R.L.M.,Rossanese, O.W.,Blagg, J.,Bavetsias, V.
C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177:316-337, 2019
PubMed: 31158747 (主引用文献が同じPDBエントリー)
DOI: 10.1016/j.ejmech.2019.05.041
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.25 Å)
?

構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21420 2.9% 3.3%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