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4WMR

STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A

Summary for 4WMR
Entry DOI10.2210/pdb4wmr/pdb
Related4WMS 4WMT 4WMU 4WMV 4WMW 4WMX
DescriptorInduced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, ... (5 entities in total)
Functional Keywordsapoptosis, protein-protein interaction, apoptosis-inhibitor complex, apoptosis/inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationMembrane ; Single-pass membrane protein : Q07820
Total number of polymer chains1
Total formula weight18341.51
Authors
CLIFTON, M.C.,EDWARDS, T.E. (deposition date: 2014-10-09, release date: 2015-05-06, Last modification date: 2023-12-27)
Primary citationClifton, M.C.,Dranow, D.M.,Leed, A.,Fulroth, B.,Fairman, J.W.,Abendroth, J.,Atkins, K.A.,Wallace, E.,Fan, D.,Xu, G.,Ni, Z.J.,Daniels, D.,Van Drie, J.,Wei, G.,Burgin, A.B.,Golub, T.R.,Hubbard, B.K.,Serrano-Wu, M.H.
A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10:e0125010-e0125010, 2015
Cited by
PubMed Abstract: Crystallization of a maltose-binding protein MCL1 fusion has yielded a robust crystallography platform that generated the first apo MCL1 crystal structure, as well as five ligand-bound structures. The ability to obtain fragment-bound structures advances structure-based drug design efforts that, despite considerable effort, had previously been intractable by crystallography. In the ligand-independent crystal form we identify inhibitor binding modes not observed in earlier crystallographic systems. This MBP-MCL1 construct dramatically improves the structural understanding of well-validated MCL1 ligands, and will likely catalyze the structure-based optimization of high affinity MCL1 inhibitors.
PubMed: 25909780
DOI: 10.1371/journal.pone.0125010
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.7 Å)
Structure validation

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數據於2024-11-06公開中

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