2025-02-15_00000101|ligand|9CDY

Crystal structure of DLK with inhibitor bound; X-ray diffraction 1.50Å
Protein #1 300 residues (91% resolved)

MGSEDLWEVPFEEILDLQWVGSGAQGAVFLGRFHGEEVAVKKVRDLKETDIKHLRKLKHPNIITFKGVCTQAPCYCILMEFCAQGQLYEVLRAGRPVTPSLLVDWSMGIAGGMNYLHLHKIIHRDLKSPNMLITYDDVVKISDFGTSKELSDKSTKMSFAGTVAWMAPEVIRNEPVSEKVDIWSFGVVLWELLTGEIPYKDVDSSAIIWGVGSNSLHLPVPSSCPDGFKILLRQCWNSKPRNRPSFRQILLHLDIASADVLSTPQETYFKSQAEWREEVKLHFEKIKSEGTGNSHHHHHH

MGSEDLWEVPFEEILDLQWVGSGAQGAVFLGRFHGEEVAVKKVRDLKETDIKHLRKLKHPNIITFKGVCTQAPCYCILMEFCAQGQLYEVLRAGRPVTPSLLVDWSMGIAGGMNYLHLHKIIHRDLKSPNMLITYDDVVKISDFGTSKELSDKSTKMSFAGTVAWMAPEVIRNEPVSEKVDIWSFGVVLWELLTGEIPYKDVDSSAIIWGVGSNSLHLPVPSSCPDGFKILLRQCWNSKPRNRPSFRQILLHLDIASADVLSTPQETYFKSQAEWREEVKLHFEKIKSEGTGNSHHHHHH
Non polymer #2 A1AZ8

InChI=1S/C20H22F3N5O4/c1-3-28-17-12(4-6-27(19(17)29)13-5-7-31-10-15(13)30-2)16(26-28)11-8-14(18(24)25-9-11)32-20(21,22)23/h4,6,8-9,13,15H,3,5,7,10H2,1-2H3,(H2,24,25)/t13-,15+/m1/s1

CCn1c2c(c(n1)c3cc(c(nc3)N)OC(F)(F)F)C=CN(C2=O)[C@@H]4CCOC[C@@H]4OC
Non polymer #3 EDO

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

C(CO)O
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference