5KU9
Crystal structure of MCL1 with compound 1
Summary for 5KU9
Entry DOI | 10.2210/pdb5ku9/pdb |
Descriptor | Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, ... (4 entities in total) |
Functional Keywords | inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | MUS MUSCULUS, HOMO SAPIENS (mouse, human) |
Total number of polymer chains | 2 |
Total formula weight | 37913.13 |
Authors | Ferguson, A.D. (deposition date: 2016-07-13, release date: 2017-01-11, Last modification date: 2023-10-04) |
Primary citation | Johannes, J.W.,Bates, S.,Beigie, C.,Belmonte, M.A.,Breen, J.,Cao, S.,Centrella, P.A.,Clark, M.A.,Cuozzo, J.W.,Dumelin, C.E.,Ferguson, A.D.,Habeshian, S.,Hargreaves, D.,Joubran, C.,Kazmirski, S.,Keefe, A.D.,Lamb, M.L.,Lan, H.,Li, Y.,Ma, H.,Mlynarski, S.,Packer, M.J.,Rawlins, P.B.,Robbins, D.W.,Shen, H.,Sigel, E.A.,Soutter, H.H.,Su, N.,Troast, D.M.,Wang, H.,Wickson, K.F.,Wu, C.,Zhang, Y.,Zhao, Q.,Zheng, X.,Hird, A.W. Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8:239-244, 2017 Cited by PubMed: 28197319DOI: 10.1021/acsmedchemlett.6b00464 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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