NMR Structure of a Complex Between MDM2 and a Small Molecule Inhibitor
CIS-[4,5-BIS-(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYD ROIMIDAZOL-1-YL]-PIPERAZIN-1-YL-METHANONE
p53-binding protein Mdm2, Double minute 2 protein, Xdm2
NHISTSDQEKLVQPTPLLLSLLKSAGAQKETFTMKEVLYHLGQYIMAKQLYDEKQQHIVHCSNDPLGELFGVQEFSVKEH RRIYAMISRNLVSANVKESSEDIFGNV
X-ray Structure of MDM2 with a p53 peptide by Kussie et al.
X-ray Structure of MDM2 with an Imidazoline Inhibitor by Lukacs, Kammlott, and Graves
HETEROGEN AUTHOR NOTED THAT THE piperizinyl moiety produced no NOEs, so the positions of its atoms could not be determined experimentally AND ARE NOT INCLUDED IN THE COORDINATES.
structures with acceptable covalent geometry,structures with the least restraint violations
50mM d13-MES; 150mM KCl; 50mM d10-DTT; 1.5mM NaN3
Structure calculations utilized 1169 NOE-based distance constraints, of which 54 were intermolecular; 176 dihedral angle constraints; and 48 hydrogen bond constraints. The piperazinyl moiety of the inhibitor gave no NOEs, hence the positions of its atoms are not known and the stereochemistry is not rigorously established.
0.6mM 13C/15N-MDM2; 3.5mM inhibitor; 50mM d13-MES; 150mM KCl; 50mM d10-DTT; 1.5mM NaN3
MDM2, protein-protein interaction, LIGASE
NHISTSDQEKLVQPTPLLLSLLKSAGAQKETFTMKEVIYHLGQYIMAKQLYDEKQQHIVHCSNDPLGELFGVQEFSVKEP RRLYAMISRNLVSANVKESSEDIFGNV