2026-02-07_00000129|ligand|9OOB

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 8; X-ray diffraction 1.83Å
Protein #1 295 residues (91% resolved)

MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK

MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Non polymer #2 A1CDK

InChI=1S/C21H21FN2O6S/c1-3-29-17-7-4-6-16(28-2)20(17)31(26,27)23-21(25)19-12-14-15(22)10-13(11-18(14)30-19)24-8-5-9-24/h4,6-7,10-12H,3,5,8-9H2,1-2H3,(H,23,25)

CCOc1cccc(c1S(=O)(=O)NC(=O)c2cc3c(o2)cc(cc3F)N4CCC4)OC
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference