2025-10-04_00000041|hard|9DU1

Co-crystal structure of the ternary complex of human FKBP12, BRD9 bromo domain and Compound 1; X-ray diffraction 2.01Å
Protein #1 109 residues (100% resolved)

SMGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE

SMGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE
Protein #2 116 residues (89% resolved)

GPLGSRTQPAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSKQ

GPLGSRTQPAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSKQ
Non polymer #3 A1BB8

InChI=1S/C47H69N13O6/c1-7-47(3,4)39(61)42(64)59-22-10-9-11-38(59)40(62)51-37(19-14-32-12-17-36(66-6)18-13-32)41(63)56-23-20-34(21-24-56)50-43-52-44(57-25-27-58(28-26-57)46(65)48-8-2)54-45(53-43)60(35-15-16-35)31-33-29-49-55(5)30-33/h12-13,17-18,29-30,34-35,37-38H,7-11,14-16,19-28,31H2,1-6H3,(H,48,65)(H,51,62)(H,50,52,53,54)/t37-,38+/m1/s1

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCc2ccc(cc2)OC)C(=O)N3CCC(CC3)Nc4nc(nc(n4)N(Cc5cnn(c5)C)C6CC6)N7CCN(CC7)C(=O)NCC
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Reference