3LCD

Inhibitor Bound to A DFG-In structure of the Kinase Domain of CSF-1R

Summary for 3LCD

• Entry DOI: 10.2210/pdb3lcd/pdb
• Descriptor: Macrophage colony-stimulating factor 1 receptor, SULFATE ION, N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine, ... (4 entities in total)
• Functional Keywords: kinase cfms csf-1r csf tyrosine-kinase colony stimulating factor 1 receptor, atp-binding, disulfide bond, glycoprotein, immunoglobulin domain, kinase, membrane, nucleotide-binding, phosphoprotein, proto-oncogene, receptor, transferase, transmembrane, tyrosine-protein kinase
• Biological source: Homo sapiens (human); More
• Cellular location: Cell membrane; Single-pass type I membrane protein: P07333
• Total number of polymer chains: 1
• Total formula weight: 38051.35

Authors

Kamtekar, S.,Day, J.E.,Reitz, B.A.,Mathis, K.J.,Meyers, M.J. (deposition date: 2010-01-10, release date: 2010-03-02, Last modification date: 2024-10-16)

Primary citation

Meyers, M.J.,Pelc, M.,Kamtekar, S.,Day, J.,Poda, G.I.,Hall, M.K.,Michener, M.L.,Reitz, B.A.,Mathis, K.J.,Pierce, B.S.,Parikh, M.D.,Mischke, D.A.,Long, S.A.,Parlow, J.J.,Anderson, D.R.,Thorarensen, A.
Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode
Bioorg.Med.Chem.Lett., 20:1543-1547, 2010

PubMed Abstract: The work described herein demonstrates the utility of structure-based drug design (SBDD) in shifting the binding mode of an HTS hit from a DFG-in to a DFG-out binding mode resulting in a class of novel potent CSF-1R kinase inhibitors suitable for lead development.

PubMed: 20137931
DOI: 10.1016/j.bmcl.2010.01.078

Experimental method

X-RAY DIFFRACTION (2.5 Å)