2025-04-19_00000094
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ligand
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8Z5A
Crystal Structure of Nur77 LBD in complex with NLM1;
X-ray diffraction 2.18Å
Protein #1
248 residues (92% resolved)
Raw Sequence ...
SKPKQPPDASPANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPHFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFILRLAYRSKPGEGKLIFCSGLVLHRLQCARGFGDWIDSILAFSRSLHSLLVDVPAFACLSALVLITDRHGLQEPRRVEELQNRIASCLKEHVAAVAGEPQPASCLSRLLGKLPELRTLCTQGLQRIFYLKLEDLVPPPPIIDKIFMDTLPF
Canonical Sequence ...
SKPKQPPDASPANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPHFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFILRLAYRSKPGEGKLIFCSGLVLHRLQCARGFGDWIDSILAFSRSLHSLLVDVPAFACLSALVLITDRHGLQEPRRVEELQNRIASCLKEHVAAVAGEPQPASCLSRLLGKLPELRTLCTQGLQRIFYLKLEDLVPPPPIIDKIFMDTLPF
Non polymer #2
A1D72
InChI=1S/C25H30N8O2S/c1-16-22(36-25(26-2)29-16)20-6-8-28-24(32-20)30-18-4-5-19-17(14-18)15-21(31-19)23(34)27-7-3-9-33-10-12-35-13-11-33/h4-6,8,14-15,31H,3,7,9-13H2,1-2H3,(H,26,29)(H,27,34)(H,28,30,32)
InChI=1S/C25H30N8O2S/c1-16-22(36-25(26-2)29-16)20-6-8-28-24(32-20)30-18-4-5-19-17(14-18)15-21(31-19)23(34)27-7-3-9-33-10-12-35-13-11-33/h4-6,8,14-15,31H,3,7,9-13H2,1-2H3,(H,26,29)(H,27,34)(H,28,30,32)
SMILES: Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc4c(c3)cc([nH]4)C(=O)NCCCN5CCOCC5
Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc4c(c3)cc([nH]4)C(=O)NCCCN5CCOCC5
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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