2025-04-12_00000339|ligand|9NYT

Crystal structure of Human p38 alpha MAPK in Complex with MW01-32-154JS; X-ray diffraction 2.16Å
Protein #1 384 residues (87% resolved)

MHHHHHHSSGVDLGTENLYFQSNAMSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES

MHHHHHHSSGVDLGTENLYFQSNAMSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
Non polymer #2 A1B7S

InChI=1S/C23H21N5/c1-2-4-19-15-20(6-5-17(19)3-1)23-21(18-7-9-24-10-8-18)16-22(26-27-23)28-13-11-25-12-14-28/h1-10,15-16,25H,11-14H2

c1ccc2cc(ccc2c1)c3c(cc(nn3)N4CCNCC4)c5ccncc5
Non polymer #3 F50

InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3

CC(=O)OO
Non polymer #4 GG5

InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)

c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference