2025-12-20_00000081|ligand|9HY9

Crystal structure of an allosteric inhibitor bound to human RIPK1 kinase domain; X-ray diffraction 2.29Å
Protein #1 297 residues (89% resolved)

GSGMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE

GSGMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE
Non polymer #2 A1IX9

InChI=1S/C25H24ClF3N4O2/c1-15(22-19(26)4-3-5-21(22)28)31-24(35)25(29)8-10-33(11-9-25)23(34)18-12-16(6-7-20(18)27)17-13-30-32(2)14-17/h3-7,12-15H,8-11H2,1-2H3,(H,31,35)/t15-/m0/s1

C[C@@H](c1c(cccc1Cl)F)NC(=O)C2(CCN(CC2)C(=O)c3cc(ccc3F)c4cnn(c4)C)F
Non polymer #3 IOD

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

[I-]
Non polymer #4 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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Reference