2026-02-07_00000135|ligand|9OOJ

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 18c; X-ray diffraction 1.82Å
Protein #1 295 residues (92% resolved)

MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK

MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Non polymer #2 A1CDE

InChI=1S/C17H14N4O4S2/c22-15(14-20-13-6-9-26-17(13)27(23,24)21-14)19-10-12(16-18-7-8-25-16)11-4-2-1-3-5-11/h1-9,12H,10H2,(H,19,22)(H,20,21)/t12-/m1/s1

c1ccc(cc1)[C@@H](CNC(=O)C2=Nc3ccsc3S(=O)(=O)N2)c4ncco4
Non polymer #3 CL

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

[Cl-]
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference