2025-08-16_00000207|ligand|9GEY

Crystal structure of CREBBP bromodomain in complex with (R,E)-2-methyl-1,2,3,5,9,10,11,12,18,19,22,23-dodecahydro-17H,21H-14,16-etheno-7,26-(metheno)[1,4]diazepino[2,3-l]pyrido[2,1-d][1]oxa[5,17]diazacycloicosine-4,8-dione; X-ray diffraction 1.56Å
Protein #1 119 residues (97% resolved)

SMRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG

SMRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG
Non polymer #2 A1IKK

InChI=1S/C28H36N4O3/c1-19-15-26(33)31-24-17-22-16-21(27(24)30-19)7-3-2-4-12-32-13-5-8-20-9-10-23(18-25(20)32)35-14-6-11-29-28(22)34/h9-10,16-19,30H,2-8,11-15H2,1H3,(H,29,34)(H,31,33)/t19-/m1/s1

C[C@@H]1CC(=O)Nc2cc3cc(c2N1)CCCCCN4CCCc5c4cc(cc5)OCCCNC3=O
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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Reference