2026-04-18_00000265|ligand|9TC0

From KRASG12D to pan-KRAS inhibitors; X-ray diffraction 1.60Å
Protein #1 189 residues (89% resolved)

MGSSHHHHHHSSGLVPRGSHMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

MGSSHHHHHHSSGLVPRGSHMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2 A1JU8

InChI=1S/C34H33F3N4O4/c1-3-20-6-4-7-21-12-23(42)13-24(27(20)21)28-26(36)14-25-30(29(28)37)38-32(39-31(25)40-10-11-44-18-33(2,43)17-40)45-19-34-8-5-9-41(34)16-22(35)15-34/h1,4,6-7,12-14,22,42-43H,5,8-11,15-19H2,2H3/t22-,33+,34+/m1/s1

C[C@@]1(CN(CCOC1)c2c3cc(c(c(c3nc(n2)OC[C@@]45CCCN4C[C@@H](C5)F)F)c6cc(cc7c6c(ccc7)C#C)O)F)O
Non polymer #3 GDP

InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference