2025-06-28_00000114
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ligand
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9GTG
RIPK1 in complex with AZ\"902;
X-ray diffraction 2.25Å
Protein #1
313 residues (83% resolved)
Raw Sequence ...
MGHHHHHHGGGENLYFQGSMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE
Canonical Sequence ...
MGHHHHHHGGGENLYFQGSMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE
Non polymer #2
A1IPG
InChI=1S/C23H25N3O3S/c1-17(27)26-13-11-18(16-26)15-25(2)30(28,29)22-9-7-19(8-10-22)21-6-5-20-4-3-12-24-23(20)14-21/h3-10,12,14,18H,11,13,15-16H2,1-2H3/t18-/m1/s1
InChI=1S/C23H25N3O3S/c1-17(27)26-13-11-18(16-26)15-25(2)30(28,29)22-9-7-19(8-10-22)21-6-5-20-4-3-12-24-23(20)14-21/h3-10,12,14,18H,11,13,15-16H2,1-2H3/t18-/m1/s1
SMILES: CC(=O)N1CC[C@@H](C1)CN(C)S(=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3
CC(=O)N1CC[C@@H](C1)CN(C)S(=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3
Non polymer #3
RCM
InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/t10-/m1/s1
InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/t10-/m1/s1
SMILES: CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl
CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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