2025-11-15_00000168
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ligand
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9LKR
Crystal Structure of the bromodomain of human BRD9 in complex with the inhibitor Y22076;
X-ray diffraction 2.68Å
Protein #1
149 residues (70% resolved)
Raw Sequence ...
MKKGHHHHHHENLYFQGGSLKLSAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSKERLLALKRSMSFMQDMDFSQ
Canonical Sequence ...
MKKGHHHHHHENLYFQGGSLKLSAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSKERLLALKRSMSFMQDMDFSQ
Non polymer #2
A1EKN
InChI=1S/C22H21N3O3/c1-15(26)20-12-17(19-6-4-5-8-25(19)20)16-10-21(27-2)18(22(11-16)28-3)13-24-9-7-23-14-24/h4-12,14H,13H2,1-3H3
InChI=1S/C22H21N3O3/c1-15(26)20-12-17(19-6-4-5-8-25(19)20)16-10-21(27-2)18(22(11-16)28-3)13-24-9-7-23-14-24/h4-12,14H,13H2,1-3H3
SMILES: CC(=O)c1cc(c2n1cccc2)c3cc(c(c(c3)OC)Cn4ccnc4)OC
CC(=O)c1cc(c2n1cccc2)c3cc(c(c(c3)OC)Cn4ccnc4)OC
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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