2024-08-31_00000178|ligand|8W7E

Design, synthesis and biological evaluations of novel small molecular hyper-activators of human caseinolytic peptidase P (hClpP); X-ray diffraction 2.80Å
Protein #1 223 residues (79% resolved)

GSSLIPIVVEQTGRGERAYDIYSRLLRERIVCVMGPIDDSVASLVIAQLLFLQSESNKKPIHMYINSPGGVVTAGLAIYDTMQYILNPICTWCVGQAASMGSLLLAAGTPGMRHSLPNSRIMIHQPSGGARGQATDIAIQAEEIMKLKKQLYNIYAKHTKQSLQVIESAMERDRYMSPMEAQEFGILDKVLVHPPQDGEDEPTLVQKEPVEAAPAAEPVPAST

GSSLIPIVVEQTGRGERAYDIYSRLLRERIVCVMGPIDDSVASLVIAQLLFLQSESNKKPIHMYINSPGGVVTAGLAIYDTMQYILNPICTWCVGQAASMGSLLLAAGTPGMRHSLPNSRIMIHQPSGGARGQATDIAIQAEEIMKLKKQLYNIYAKHTKQSLQVIESAMERDRYMSPMEAQEFGILDKVLVHPPQDGEDEPTLVQKEPVEAAPAAEPVPAST
Non polymer #2 9I3

InChI=1S/C25H21Cl2N3O/c26-19-8-6-17(7-9-19)15-30-24-22(5-2-11-28-24)21-10-12-29(16-23(21)25(30)31)14-18-3-1-4-20(27)13-18/h1-9,11,13H,10,12,14-16H2

c1cc(cc(c1)Cl)CN2CCC3=C(C2)C(=O)N(c4c3cccn4)Cc5ccc(cc5)Cl
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Reference