2026-04-18_00000173
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ligand
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9Q8A
Crystal structure of the human METTL3-METTL14 in complex with small molecule inhibitor Compound 3;
X-ray diffraction 1.95Å
Protein #1
211 residues (99% resolved)
Raw Sequence ...
RLFPPQWICCDIRYLDVSILGKFAVVMADPPWDIHMELPYGTLTDDEMRRLNIPVLQDDGFLFLWVTGRAMELGRECLNLWGYERVDEIIWVKTNQLQRIIRTGRTGHWLNHGKEHCLVGVKGNPQGFNQGLDCDVIVAEVRSTSHKPDEIYGMIERLSPGTRKIELFGRPHNVQPNWITLGNQLDGIHLLDPDVVARFKQRYPDGIISKP
Canonical Sequence ...
RLFPPQWICCDIRYLDVSILGKFAVVMADPPWDIHMELPYGTLTDDEMRRLNIPVLQDDGFLFLWVTGRAMELGRECLNLWGYERVDEIIWVKTNQLQRIIRTGRTGHWLNHGKEHCLVGVKGNPQGFNQGLDCDVIVAEVRSTSHKPDEIYGMIERLSPGTRKIELFGRPHNVQPNWITLGNQLDGIHLLDPDVVARFKQRYPDGIISKP
Protein #2
279 residues (90% resolved)
Raw Sequence ...
NDYCQHFVDTGHRPQNFIRDVGLADRFEEYPKLRELIRLKDELIAKSNTPPMYLQADIEAFDIRELTPKFDVILLEPPLEEYYRETGITANEKCWTWDDIMKLEIDEIAAPRSFIFLWCGSGEGLDLGRVCLRKWGYRRCEDICWIKTNKNNPGKTKTLDPKAVFQRTKEHCLMGIKGTVKRSTDGDFIHANVDIDLIITEEPEIGNIEKPVEIFHIIEHFCLGRRRLHLFGRDSTIRPGWLTVGPTLTNSNYNAETYASYFSAPNSYLTGCTEEIERL
Canonical Sequence ...
NDYCQHFVDTGHRPQNFIRDVGLADRFEEYPKLRELIRLKDELIAKSNTPPMYLQADIEAFDIRELTPKFDVILLEPPLEEYYRETGITANEKCWTWDDIMKLEIDEIAAPRSFIFLWCGSGEGLDLGRVCLRKWGYRRCEDICWIKTNKNNPGKTKTLDPKAVFQRTKEHCLMGIKGTVKRSTDGDFIHANVDIDLIITEEPEIGNIEKPVEIFHIIEHFCLGRRRLHLFGRDSTIRPGWLTVGPTLTNSNYNAETYASYFSAPNSYLTGCTEEIERL
Non polymer #3
A1I4K
InChI=1S/C27H33N7O/c1-2-23(29-11-19-3-4-19)15-33(9-1)24-7-8-26(30-14-24)27(17-35-18-27)34-16-25(31-32-34)22-10-21(12-28-13-22)20-5-6-20/h7-8,10,12-14,16,19-20,23,29H,1-6,9,11,15,17-18H2/t23-/m1/s1
InChI=1S/C27H33N7O/c1-2-23(29-11-19-3-4-19)15-33(9-1)24-7-8-26(30-14-24)27(17-35-18-27)34-16-25(31-32-34)22-10-21(12-28-13-22)20-5-6-20/h7-8,10,12-14,16,19-20,23,29H,1-6,9,11,15,17-18H2/t23-/m1/s1
SMILES: c1cc(ncc1N2CCC[C@H](C2)NCC3CC3)C4(COC4)n5cc(nn5)c6cc(cnc6)C7CC7
c1cc(ncc1N2CCC[C@H](C2)NCC3CC3)C4(COC4)n5cc(nn5)c6cc(cnc6)C7CC7
Biounit #1
hetero-1-1-mer
Download coordinates
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Model
Reference
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