2025-08-16_00000204|ligand|9GEU

Crystal structure of CREBBP bromodomain in complex with (R,E)-2-methyl-1,2,3,5,10,11,17,18,21,22-decahydro-4H,16H,20H-13,15-etheno-7,25-(metheno)[1,4]diazepino[2,3-h]pyrido[1,2-p][1]oxa[4,16]diazacyclononadecine-4,8(9H)-dione; X-ray diffraction 1.56Å
Protein #1 119 residues (97% resolved)

SMRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG

SMRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG
Non polymer #2 A1IKL

InChI=1S/C27H32N4O3/c1-18-14-25(32)30-23-16-21-15-20(26(23)29-18)6-3-2-4-11-31-12-5-7-19-8-9-22(17-24(19)31)34-13-10-28-27(21)33/h3,6,8-9,15-18,29H,2,4-5,7,10-14H2,1H3,(H,28,33)(H,30,32)/b6-3+/t18-/m1/s1

C[C@@H]1CC(=O)Nc2cc3cc(c2N1)/C=C/CCCN4CCCc5c4cc(cc5)OCCNC3=O
Non polymer #3 BU3

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1

C[C@H]([C@@H](C)O)O
Non polymer #4 CIT

InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Download coordinates
Download coordinates
Reference