2026-03-14_00000095
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ligand
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24IB
Crystal structure of human RIPK1 kinase domain in complex with compound HR10;
X-ray diffraction 2.05Å
Protein #1
294 residues (88% resolved)
Raw Sequence ...
MQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE
Canonical Sequence ...
MQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE
Non polymer #2
A1E6Q
InChI=1S/C22H21N5O5/c1-27-16-11-14(22(30)31-2)8-9-17(16)32-12-15(21(27)29)23-20(28)19-24-18(25-26-19)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,23,28)(H,24,25,26)/t15-/m0/s1
InChI=1S/C22H21N5O5/c1-27-16-11-14(22(30)31-2)8-9-17(16)32-12-15(21(27)29)23-20(28)19-24-18(25-26-19)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,23,28)(H,24,25,26)/t15-/m0/s1
SMILES: CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4)C(=O)OC
CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4)C(=O)OC
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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