4BZN

Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor

4BZN の概要

関連するPDBエントリー4BZO
分子名称SERINE/THREONINE-PROTEIN KINASE PIM-1, N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide (3 entities in total)
機能のキーワードpim1, atp binding, kinase inhibitor, transferase
由来する生物種HOMO SAPIENS (HUMAN)
細胞内の位置Isoform 2: Cytoplasm. Isoform 1: Cell membrane P11309
ポリマー鎖数1
分子量合計36181.15
構造登録者
主引用文献
Casuscelli, F.,Ardini, E.,Avanzi, N.,Casale, E.,Cervi, G.,D'Anello, M.,Donati, D.,Faiardi, D.,Ferguson, R.D.,Fogliatto, G.,Galvani, A.,Marsiglio, A.,Mirizzi, D.G.,Montemartini, M.,Orrenius, C.,Papeo, G.,Piutti, C.,Salom, B.,Felder, E.R.
Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21:7364-, 2013
PubMed: 24139169 (主引用文献が同じPDBエントリー)
DOI: 10.1016/J.BMC.2013.09.054
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.9 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.196500.8%6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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