2026-11-07_00000145|ligand|44IC

Crystal structure of human glutaminyl cyclase in complex with Inhibitor 1258; X-ray diffraction 1.78Å
Protein #1 329 residues (98% resolved)

ASAWPEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLSQTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKTVSDSKPDLSLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKILQVFVLEYLHL

ASAWPEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLSQTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKTVSDSKPDLSLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKILQVFVLEYLHL
Non polymer #2 A1FDN

InChI=1S/C19H18F3N5O/c1-12-9-23-11-27(12)8-7-24-18-25-10-16(19(20,21)22)17(26-18)15-5-3-14(4-6-15)13(2)28/h3-6,9-11H,7-8H2,1-2H3,(H,24,25,26)

Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)C(=O)C)C(F)(F)F
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
Non polymer #5 TRS

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

C(C(CO)(CO)[NH3+])O
Non polymer #6 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference