2026-04-04_00000364
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ligand
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9YR9
Structure of human MARK3 in complex with inhibitor;
X-ray diffraction 2.40Å
Protein #1
325 residues (96% resolved)
Raw Sequence ...
GAMDPDEQPHIGNYRLLKTIGKGNFAKVKLARHILTGREVAIKIIDKTQLNPTSLQKLFREVRIMKILNHPNIVKLFEVIETEKTLYLIMEYASGGEVFDYLVAHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMNIKIADFGFSNEFTVGGKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKDRWINAGHEEDELKPFVEPELDISDQKRIDIMVGMGYSQEEIQESLSKMKYDEITATYLLLGRK
Canonical Sequence ...
GAMDPDEQPHIGNYRLLKTIGKGNFAKVKLARHILTGREVAIKIIDKTQLNPTSLQKLFREVRIMKILNHPNIVKLFEVIETEKTLYLIMEYASGGEVFDYLVAHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMNIKIADFGFSNEFTVGGKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKDRWINAGHEEDELKPFVEPELDISDQKRIDIMVGMGYSQEEIQESLSKMKYDEITATYLLLGRK
Non polymer #2
A1CZY
InChI=1S/C21H22ClF2N7O2S/c1-30-5-7-31(8-6-30)12-2-3-14(16(10-12)33-20(23)24)28-21-26-11-13(22)19(29-21)27-15-4-9-34-17(15)18(25)32/h2-4,9-11,20H,5-8H2,1H3,(H2,25,32)(H2,26,27,28,29)
InChI=1S/C21H22ClF2N7O2S/c1-30-5-7-31(8-6-30)12-2-3-14(16(10-12)33-20(23)24)28-21-26-11-13(22)19(29-21)27-15-4-9-34-17(15)18(25)32/h2-4,9-11,20H,5-8H2,1H3,(H2,25,32)(H2,26,27,28,29)
SMILES: CN1CCN(CC1)c2ccc(c(c2)OC(F)F)Nc3ncc(c(n3)Nc4ccsc4C(=O)N)Cl
CN1CCN(CC1)c2ccc(c(c2)OC(F)F)Nc3ncc(c(n3)Nc4ccsc4C(=O)N)Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%