Brand  (β version)

PDB ID: 5MU8

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Ligands
Code Name Style Show Link
JNI ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine PoSSuM
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Structure summary

Code : 5MU8   PDBj   RCSB PDB   PDBe
Header : CYTOKINE
Title : HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525
Release Data : 2017-03-29
Compound :
mol_id molecule chains synonym
1 Tumor necrosis factor A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,a,b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w Cachectin,TNF-alpha,Tumor necrosis factor ligand superfamily member 2,TNF-a
fragment: UNP residues 77-233
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: TNF, TNFA, TNFSF2
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.
Keywords : TUMOR NECROSIS FACTOR ALPHA, PROTEROS BIOSTRUCTURES GMBH, cytokine
Exp. method : X-RAY DIFFRACTION ( 3.00 Å )
Citation :

Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction.

Blevitt, J.M.,Hack, M.D.,Herman, K.L.  et al.
(2017)  J. Med. Chem.  60 : 3511 - 3517

PubMed: 28300404
DOI: 10.1021/acs.jmedchem.6b01836

Reaction

Chain : A, B, C, D, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b, c, d, e, f, g, h, i, j, k, l, m, n, o, p, q, r, s, t, u, v, w
UniProt : P01375 (TNFA_HUMAN)
Reaction : -