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6BW2

Mcl-1 complexed with small molecules

Summary for 6BW2
Entry DOI10.2210/pdb6bw2/pdb
DescriptorInduced myeloid leukemia cell differentiation protein Mcl-1, 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid (3 entities in total)
Functional Keywordsmcl-1 inhibitor, cancer, structure-based design, drug discovery, apoptosis
Biological sourceHomo sapiens (Human)
Total number of polymer chains4
Total formula weight74474.31
Authors
Zhao, B. (deposition date: 2017-12-14, release date: 2018-01-31, Last modification date: 2023-10-04)
Primary citationShaw, S.,Bian, Z.,Zhao, B.,Tarr, J.C.,Veerasamy, N.,Jeon, K.O.,Belmar, J.,Arnold, A.L.,Fogarty, S.A.,Perry, E.,Sensintaffar, J.L.,Camper, D.V.,Rossanese, O.W.,Lee, T.,Olejniczak, E.T.,Fesik, S.W.
Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61:2410-2421, 2018
Cited by
PubMed: 29323899
DOI: 10.1021/acs.jmedchem.7b01155
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.75 Å)
Structure validation

217705

数据于2024-03-27公开中

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