2025-11-22_00000271|ligand|9R8B

CRYSTAL STRUCTURE OF WILD-TYPE PLK1 KINASE DOMAIN IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1 AND A SELECTIVE DARPIN; X-ray diffraction 2.20Å
Protein #1 315 residues (92% resolved)

GSAAPPAKEIPEVLVDPRSRRRYVRGRFLGKGGFAKCFEISDADTKEVFAGKIVPKSLLLKPHQREKMSMEISIHRSLAHQHVVGFHGFFEDNDFVFVVLELCRRRSLLELHKRRKALTEPEARYYLRQIVLGCQYLHRNRVIHRDLKLGNLFLNEDLEVKIGDFGLATKVEYDGERKKTLCGTPNYIAPEVLSKKGHSFEVDVWSIGCIMYTLLVGKPPFETSCLKETYLRIKKNEYSIPKHINPVAASLIQKMLQTDPTARPTINELLNDEFFTSGYIPARLPITCLTIPPRFSIAPSSLDPSNRKPLTVLNK

GSAAPPAKEIPEVLVDPRSRRRYVRGRFLGKGGFAKCFEISDADTKEVFAGKIVPKSLLLKPHQREKMSMEISIHRSLAHQHVVGFHGFFEDNDFVFVVLELCRRRSLLELHKRRKALTEPEARYYLRQIVLGCQYLHRNRVIHRDLKLGNLFLNEDLEVKIGDFGLATKVEYDGERKKTLCGTPNYIAPEVLSKKGHSFEVDVWSIGCIMYTLLVGKPPFETSCLKETYLRIKKNEYSIPKHINPVAASLIQKMLQTDPTARPTINELLNDEFFTSGYIPARLPITCLTIPPRFSIAPSSLDPSNRKPLTVLNK
Protein #2 167 residues (80% resolved)

MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILIANGADVNAVDNTGLTPLHLAAVSGHLEIVEVLLKHGADVDAADVYGFTPLHLAAMTGHLEIVEVLLKYGADVNAFDMTGSTPLHLAADEGHLEIVEVLLKYGADVNAQDKFGKTAFDISIDNGNEDLAKSCRN

MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILIANGADVNAVDNTGLTPLHLAAVSGHLEIVEVLLKHGADVDAADVYGFTPLHLAAMTGHLEIVEVLLKYGADVNAFDMTGSTPLHLAADEGHLEIVEVLLKYGADVNAQDKFGKTAFDISIDNGNEDLAKSCRN
Non polymer #3 A1JCP

InChI=1S/C23H28F3N7O2S/c1-4-33-21(35)18(36-22(33)17(12-27)20(34)30-14-23(24,25)26)13-29-15-5-8-28-19(11-15)32(3)16-6-9-31(2)10-7-16/h5,8,11,13,16,36H,4,6-7,9-10,14H2,1-3H3,(H,30,34)/b22-17-,29-13+

CCN\1C(=O)C(=S/C1=C(/C#N)\C(=O)NCC(F)(F)F)/C=N/c2ccnc(c2)N(C)C3CCN(CC3)C
Non polymer #4 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference