2024-10-19_00000090|ligand|8WUZ

Development of 2-imino-2,3,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one derivatives as human caseinolytic peptidase P (hClpP) activators; X-ray diffraction 2.90Å
Protein #1 221 residues (84% resolved)

SLIPIVVEQTGRGERAYDIYSRLLRERIVCVMGPIDDSVASLVIAQLLFLQSESNKKPIHMYINSPGGVVTAGLAIYDTMQYILNPICTWCVGQAASMGSLLLAAGTPGMRHSLPNSRIMIHQPSGGARGQATDIAIQAEEIMKLKKQLYNIYAKHTKQSLQVIESAMERDRYMSPMEAQEFGILDKVLVHPPQDGEDEPTLVQKEPVEAAPAAEPVPAST

SLIPIVVEQTGRGERAYDIYSRLLRERIVCVMGPIDDSVASLVIAQLLFLQSESNKKPIHMYINSPGGVVTAGLAIYDTMQYILNPICTWCVGQAASMGSLLLAAGTPGMRHSLPNSRIMIHQPSGGARGQATDIAIQAEEIMKLKKQLYNIYAKHTKQSLQVIESAMERDRYMSPMEAQEFGILDKVLVHPPQDGEDEPTLVQKEPVEAAPAAEPVPAST
Non polymer #2 BR

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

[Br-]
Non polymer #3 XFU

InChI=1S/C25H24F4N4O/c26-20-4-1-3-18(13-20)14-31-12-9-22-21(16-31)23(34)33(24-30-10-2-11-32(22)24)15-17-5-7-19(8-6-17)25(27,28)29/h1,3-8,13H,2,9-12,14-16H2

c1cc(cc(c1)F)CN2CCC3=C(C2)C(=O)N(C4=NCCCN34)Cc5ccc(cc5)C(F)(F)F
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Reference