2026-11-07_00000248
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ligand
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9Z3M
Complex of phosphorylated p38-alpha and MK2 with a molecular glue;
X-ray diffraction 2.85Å
Protein #1
363 residues (97% resolved)
Raw Sequence ...
GGGMSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEM(TPO)G(PTR)VATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSL(TPO)QMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
Canonical Sequence ...
GGGMSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
Protein #2
363 residues (93% resolved)
Raw Sequence ...
GGGQQFPQFHVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTSHNSLTTPCYTPYYVAPEVLGPEKYDKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSALATMRVDYEQIKIKKIEDASNPLLLKRRKKARALEAAALAH
Canonical Sequence ...
GGGQQFPQFHVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTSHNSLTTPCYTPYYVAPEVLGPEKYDKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSALATMRVDYEQIKIKKIEDASNPLLLKRRKKARALEAAALAH
Non polymer #3
A1CZ9
InChI=1S/C29H24F2N4O3/c1-16-15-33-23(22-8-11-32-27(34-22)28(2,3)37)14-24(16)35-26(36)19-6-5-18(13-20(19)29(35)9-10-29)38-25-7-4-17(30)12-21(25)31/h4-8,11-15,37H,9-10H2,1-3H3
InChI=1S/C29H24F2N4O3/c1-16-15-33-23(22-8-11-32-27(34-22)28(2,3)37)14-24(16)35-26(36)19-6-5-18(13-20(19)29(35)9-10-29)38-25-7-4-17(30)12-21(25)31/h4-8,11-15,37H,9-10H2,1-3H3
SMILES: Cc1cnc(cc1N2C(=O)c3ccc(cc3C24CC4)Oc5ccc(cc5F)F)c6ccnc(n6)C(C)(C)O
Cc1cnc(cc1N2C(=O)c3ccc(cc3C24CC4)Oc5ccc(cc5F)F)c6ccnc(n6)C(C)(C)O
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #5
MLA
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
SMILES: C(C(=O)O)C(=O)O
C(C(=O)O)C(=O)O
Biounit #1
hetero-1-1-mer
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Biounit #2
hetero-1-1-mer
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Biounit #3
hetero-1-1-mer
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Biounit #4
hetero-1-1-mer
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Model
Reference
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