Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5UGA

Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium

Summary for 5UGA
Entry DOI10.2210/pdb5uga/pdb
Related5UG8 5UG9 5UGB 5UGC
DescriptorEpidermal growth factor receptor, 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, SULFATE ION, ... (5 entities in total)
Functional Keywordskinase, covalent inhibitor, lung cancer, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCell membrane; Single-pass type I membrane protein. Isoform 2: Secreted: P00533
Total number of polymer chains1
Total formula weight38526.47
Authors
Gajiwala, K.S.,Ferre, R.A. (deposition date: 2017-01-07, release date: 2017-03-22, Last modification date: 2024-03-06)
Primary citationPlanken, S.,Behenna, D.C.,Nair, S.K.,Johnson, T.O.,Nagata, A.,Almaden, C.,Bailey, S.,Ballard, T.E.,Bernier, L.,Cheng, H.,Cho-Schultz, S.,Dalvie, D.,Deal, J.G.,Dinh, D.M.,Edwards, M.P.,Ferre, R.A.,Gajiwala, K.S.,Hemkens, M.,Kania, R.S.,Kath, J.C.,Matthews, J.,Murray, B.W.,Niessen, S.,Orr, S.T.,Pairish, M.,Sach, N.W.,Shen, H.,Shi, M.,Solowiej, J.,Tran, K.,Tseng, E.,Vicini, P.,Wang, Y.,Weinrich, S.L.,Zhou, R.,Zientek, M.,Liu, L.,Luo, Y.,Xin, S.,Zhang, C.,Lafontaine, J.
Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60:3002-3019, 2017
Cited by
PubMed: 28287730
DOI: 10.1021/acs.jmedchem.6b01894
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.82 Å)
Structure validation

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon