2026-07-18_00000323|ligand|9YMN

Crystal Structure of human KRAS G12D in complex with GDP and compound 7; X-ray diffraction 1.25Å
Protein #1 184 residues (91% resolved)

MKHHHHHHHLVPRGSMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

MKHHHHHHHLVPRGSMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2 A1CZE

InChI=1S/C31H29ClF3N7OS/c32-21-8-19-26(25(35)24(21)18-4-5-22(34)27-23(18)20(10-36)28(37)44-27)39-30(40-29(19)42-16-2-3-17(42)12-38-11-16)43-14-31-6-1-7-41(31)13-15(33)9-31/h4-5,8,15-17,38H,1-3,6-7,9,11-14,37H2/t15-,16-,17+,31+/m1/s1

c1cc(c2c(c1c3c(cc4c(c3F)nc(nc4N5[C@@H]6CC[C@H]5CNC6)OC[C@@]78CCCN7C[C@@H](C8)F)Cl)c(c(s2)N)C#N)F
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