2025-09-06_00000011|ligand|9D0Q

Crystal structure of human Wee1 kinase domain in complex with inhibitor; X-ray diffraction 1.96Å
Protein #1 289 residues (96% resolved)

GAMGMKSRYTTEFHELEKIGSGEFGSVFKCVKRLDGCIYAIKRSKKPLAGSVDEQNALREVYAHAVLGQHSHVVRYFSAWAEDDHMLIQNEYCNGGSLADAISENYRIMSYFKEAELKDLLLQVGRGLRYIHSMSLVHMDIKPSNIFISRTSIPNAASEEGDEDDWASNKVMFKIGDLGHVTRISSPQVEEGDSRFLANEVLQENYTHLPKADIFALALTVVCAAGAEPLPRNGDQWHEIRQGRLPRIPQVLSQEFTELLKVMIHPDPERRPSAMALVKHSVLLSASRK

GAMGMKSRYTTEFHELEKIGSGEFGSVFKCVKRLDGCIYAIKRSKKPLAGSVDEQNALREVYAHAVLGQHSHVVRYFSAWAEDDHMLIQNEYCNGGSLADAISENYRIMSYFKEAELKDLLLQVGRGLRYIHSMSLVHMDIKPSNIFISRTSIPNAASEEGDEDDWASNKVMFKIGDLGHVTRISSPQVEEGDSRFLANEVLQENYTHLPKADIFALALTVVCAAGAEPLPRNGDQWHEIRQGRLPRIPQVLSQEFTELLKVMIHPDPERRPSAMALVKHSVLLSASRK
Non polymer #2 A1A1S

InChI=1S/C26H29Cl2N7O/c1-17(36)35-22-15-29-26(30-18-7-9-19(10-8-18)34-13-11-32(2)12-14-34)31-25(22)33(3)16-23(35)24-20(27)5-4-6-21(24)28/h4-10,15,23H,11-14,16H2,1-3H3,(H,29,30,31)/t23-/m0/s1

CC(=O)N1c2cnc(nc2N(C[C@H]1c3c(cccc3Cl)Cl)C)Nc4ccc(cc4)N5CCN(CC5)C
Non polymer #3 CL

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

[Cl-]
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
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Reference