5MU8

HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525

Summary for 5MU8

Entry DOI	10.2210/pdb5mu8/pdb
Descriptor	Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine (2 entities in total)
Functional Keywords	tumor necrosis factor alpha, proteros biostructures gmbh, cytokine
Biological source	Homo sapiens (Human)
Total number of polymer chains	48
Total formula weight	867173.44
Authors	Blevitt, J.M.,Hack, M.D.,Herman, K.L.,Jackson, P.F.,Krawczuk, P.J.,Lebsack, A.D.,Liu, A.X.,Mirzadegan, T.,Nelen, M.I.,Patrick, A.P.,Steinbacher, S.,Milla, M.E.,Lumb, K.J. (deposition date: 2017-01-12, release date: 2017-03-29, Last modification date: 2019-02-20)
Primary citation	Blevitt, J.M.,Hack, M.D.,Herman, K.L.,Jackson, P.F.,Krawczuk, P.J.,Lebsack, A.D.,Liu, A.X.,Mirzadegan, T.,Nelen, M.I.,Patrick, A.N.,Steinbacher, S.,Milla, M.E.,Lumb, K.J. Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction. J. Med. Chem., 60:3511-3517, 2017 Cited by PubMed: 28300404 DOI: 10.1021/acs.jmedchem.6b01836 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation