2025-11-08_00000080|ligand|9IA6

Crystal structure of DNPH1 bound by compound 3.; X-ray diffraction 2.21Å
Protein #1 152 residues (87% resolved)

MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ

MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Non polymer #2 A1I1U

InChI=1S/C32H38N8O3/c1-34-26-10-7-6-9-25(26)31(43)39-17-14-24(15-18-39)35-32-37-30(28-20-23-13-12-22(21-33)19-27(23)36-28)38-40(32)16-8-4-2-3-5-11-29(41)42/h6-7,9-10,12-13,19-20,24,34,36H,2-5,8,11,14-18H2,1H3,(H,41,42)(H,35,37,38)

CNc1ccccc1C(=O)N2CCC(CC2)Nc3nc(nn3CCCCCCCC(=O)O)c4cc5ccc(cc5[nH]4)C#N
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference