2026-10-17_00000169
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ligand
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9SXX
Crystal structure of ERK2 in complex with a ligand;
X-ray diffraction 1.74Å
Protein #1
364 residues (94% resolved)
Raw Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTT(CME)DLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Canonical Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Non polymer #2
A1JRR
InChI=1S/C22H18N6OS/c23-20(13-4-2-1-3-5-13)22(29)26-19-9-18(27-28-19)17-11-25-21-16(17)8-15(10-24-21)14-6-7-30-12-14/h1-12,20H,23H2,(H,24,25)(H2,26,27,28,29)/t20-/m0/s1
InChI=1S/C22H18N6OS/c23-20(13-4-2-1-3-5-13)22(29)26-19-9-18(27-28-19)17-11-25-21-16(17)8-15(10-24-21)14-6-7-30-12-14/h1-12,20H,23H2,(H,24,25)(H2,26,27,28,29)/t20-/m0/s1
SMILES: c1ccc(cc1)[C@@H](C(=O)Nc2cc([nH]n2)c3c[nH]c4c3cc(cn4)c5ccsc5)N
c1ccc(cc1)[C@@H](C(=O)Nc2cc([nH]n2)c3c[nH]c4c3cc(cn4)c5ccsc5)N
Non polymer #3
BME
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CS)O
C(CS)O
Biounit #1
monomer
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Model
Reference
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