2026-08-01_00000218|ligand|35WG

Crystal structure of CHK1 in complex with BBI-355; X-ray diffraction 1.97Å
Protein #1 280 residues (94% resolved)

MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKENLYFQ

MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKENLYFQ
Non polymer #2 A1DNI

InChI=1S/C20H22N8O2/c1-11-5-16(30-14-4-3-12(22)6-14)19(20(25-11)29-2)15-7-17(28-27-15)26-18-10-23-13(8-21)9-24-18/h5,7,9-10,12,14H,3-4,6,22H2,1-2H3,(H2,24,26,27,28)/t12-,14+/m0/s1

Cc1cc(c(c(n1)OC)c2cc(n[nH]2)Nc3cnc(cn3)C#N)O[C@@H]4CC[C@@H](C4)N
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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Reference