JNK1 in complex with inhibitor

Summary for 3PZE

DescriptorMitogen-activated protein kinase 8, SULFATE ION, 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide, ... (4 entities in total)
Functional Keywordskinase jnk1, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm  P45983
Total number of polymer chains1
Total molecular weight41993.38
Xue, Y. (deposition date: 2010-12-14, release date: 2011-12-14, Last modification date: 2018-03-07)
Primary citation
Oza, V.,Ashwell, S.,Almeida, L.,Brassil, P.,Breed, J.,Deng, C.,Gero, T.,Grondine, M.,Horn, C.,Ioannidis, S.,Liu, D.,Lyne, P.,Newcombe, N.,Pass, M.,Read, J.,Ready, S.,Rowsell, S.,Su, M.,Toader, D.,Vasbinder, M.,Yu, D.,Yu, Y.,Xue, Y.,Zabludoff, S.,Janetka, J.
Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55:5130-5142, 2012
PubMed: 22551018 (PDB entries with the same primary citation)
DOI: 10.1021/jm300025r
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24030.3%5.4%9.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload