2025-03-29_00000432|ligand|9J9D

Crystal structure of ALK5 kinase domain in complex with inhibitor HM-279; X-ray diffraction 1.34Å
Protein #1 306 residues (97% resolved)

GATIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQEGIKM

GATIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQEGIKM
Non polymer #2 A1L30

InChI=1S/C22H25N7O2S/c1-4-5-8-28-13-16(11-25-28)29(12-14-6-7-14)22-26-18(20(23)30)19(32-22)17-9-15(10-24-17)21(31)27(2)3/h9-11,13-14,24H,6-8,12H2,1-3H3,(H2,23,30)

CC#CCn1cc(cn1)N(CC2CC2)c3nc(c(s3)c4cc(c[nH]4)C(=O)N(C)C)C(=O)N
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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