2026-05-30_00000209|ligand|9V5K

Crystal Structure of Nur77 LBD in complex with N-(2'-(methyl(pentyl)amino)-[4,4'-bipyridin]-2-yl)cinnamamide; X-ray diffraction 2.37Å
Protein #1 238 residues (98% resolved)

PANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPHFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFILRLAYRSKPGEGKLIFCSGLVLHRLQCARGFGDWIDSILAFSRSLHSLLVDVPAFACLSALVLITDRHGLQEPRRVEELQNRIASCLKEHVAAVAGEPQPASCLSRLLGKLPELRTLCTQGLQRIFYLKLEDLVPPPPIIDKIFMDTLPF

PANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPHFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFILRLAYRSKPGEGKLIFCSGLVLHRLQCARGFGDWIDSILAFSRSLHSLLVDVPAFACLSALVLITDRHGLQEPRRVEELQNRIASCLKEHVAAVAGEPQPASCLSRLLGKLPELRTLCTQGLQRIFYLKLEDLVPPPPIIDKIFMDTLPF
Non polymer #2 A1D6A

InChI=1S/C25H28N4O/c1-3-4-8-17-29(2)24-19-22(14-16-27-24)21-13-15-26-23(18-21)28-25(30)12-11-20-9-6-5-7-10-20/h5-7,9-16,18-19H,3-4,8,17H2,1-2H3,(H,26,28,30)/b12-11+

CCCCCN(C)c1cc(ccn1)c2ccnc(c2)NC(=O)/C=C/c3ccccc3
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