2025-11-01_00000261
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ligand
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9KLA
Crystal Structure of the bromodomain of human BRD9 in complex with the inhibitor Y22024;
X-ray diffraction 1.78Å
Protein #1
149 residues (88% resolved)
Raw Sequence ...
MKKGHHHHHHENLYFQGGSLKLSAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSKERLLALKRSMSFMQDMDFSQ
Canonical Sequence ...
MKKGHHHHHHENLYFQGGSLKLSAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSKERLLALKRSMSFMQDMDFSQ
Non polymer #2
A1EF0
InChI=1S/C18H17NO3/c1-12(20)18-11-16(17-6-4-5-7-19(17)18)13-8-14(21-2)10-15(9-13)22-3/h4-11H,1-3H3
InChI=1S/C18H17NO3/c1-12(20)18-11-16(17-6-4-5-7-19(17)18)13-8-14(21-2)10-15(9-13)22-3/h4-11H,1-3H3
SMILES: CC(=O)c1cc(c2n1cccc2)c3cc(cc(c3)OC)OC
CC(=O)c1cc(c2n1cccc2)c3cc(cc(c3)OC)OC
Non polymer #3
MLT
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
SMILES: C([C@H](C(=O)O)O)C(=O)O
C([C@H](C(=O)O)O)C(=O)O
Biounit #1
homo-dimer
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Model
Reference
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