2025-12-20_00000080|ligand|9HY8

Crystal structure of an allosteric inhibitor bound to human RIPK1 kinase domain; X-ray diffraction 2.98Å
Protein #1 297 residues (91% resolved)

GSGMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE

GSGMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE
Non polymer #2 1HX

InChI=1S/C15H13ClFN3O/c1-9(14-11(16)4-3-5-12(14)17)19-15(21)13-7-6-10(8-18)20(13)2/h3-7,9H,1-2H3,(H,19,21)/t9-/m0/s1

C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N
Non polymer #3 A1IX7

InChI=1S/C21H22Cl2N2O2/c1-14-2-4-15(5-3-14)13-24-20(26)16-8-10-25(11-9-16)21(27)18-12-17(22)6-7-19(18)23/h2-7,12,16H,8-11,13H2,1H3,(H,24,26)

Cc1ccc(cc1)CNC(=O)C2CCN(CC2)C(=O)c3cc(ccc3Cl)Cl
Non polymer #4 IOD

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

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