2026-02-21_00000007|ligand|10SL

Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma cruzi in complex with Hesperadin; X-ray diffraction 2.72Å
Protein #1 361 residues (94% resolved)

MEKVTKDDFESLDVLGKGSFAYVVLVRRIGTNEYYAMKVVNKQGLLDHNRYRDVFVERNVLSRINHPYLLKLYWTFQSEHKLFFVMEYMPGGDLDKYMNNLPSKQFDLFTAKLYAAEILLALLFLHEHSVIYRDLKPENILLTGDGHCVLADFGLSKDFYNPKEGGDASTKDMRAN(SEP)FVGSPFYVAPDVLKQSEYTNAVDFWSFGILLYRMLCGRTPFNGKSMREVFDNILYSDLRFPSSVQLPSEAKDLISRLLIKDANRRIKGPEIKAHLFWTGINFDEVMERKVKPPKWVPIPSPEQVMAERAKAEGASTSAKNPGQLVNTPAQS(SEP)QLNSRQQQLFTGF(SEP)CTADNHLNKNLEHHHHHH

MEKVTKDDFESLDVLGKGSFAYVVLVRRIGTNEYYAMKVVNKQGLLDHNRYRDVFVERNVLSRINHPYLLKLYWTFQSEHKLFFVMEYMPGGDLDKYMNNLPSKQFDLFTAKLYAAEILLALLFLHEHSVIYRDLKPENILLTGDGHCVLADFGLSKDFYNPKEGGDASTKDMRANSFVGSPFYVAPDVLKQSEYTNAVDFWSFGILLYRMLCGRTPFNGKSMREVFDNILYSDLRFPSSVQLPSEAKDLISRLLIKDANRRIKGPEIKAHLFWTGINFDEVMERKVKPPKWVPIPSPEQVMAERAKAEGASTSAKNPGQLVNTPAQSSQLNSRQQQLFTGFSCTADNHLNKNLEHHHHHH
Non polymer #2 H1N

InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,27,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b30-28+/t27-/m0/s1

CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5
Non polymer #3 MLI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2

C(C(=O)[O-])C(=O)[O-]
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Reference