3LVP

Crystal structure of bisphosphorylated IGF1-R Kinase domain (2P) in complex with a bis-azaindole inhibitor

Summary for 3LVP

• Entry DOI: 10.2210/pdb3lvp/pdb
• Descriptor: Insulin-like growth factor 1 receptor, 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (5 entities in total)
• Functional Keywords: protein kinase, tyrosine kinase, tyrosine phosphorylation, protein-substrate complex, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P08069
• Total number of polymer chains: 4
• Total formula weight: 155678.17

Authors

Maignan, S.,Marquette, J.P.,Guilloteau, J.P. (deposition date: 2010-02-22, release date: 2010-07-21, Last modification date: 2023-11-01)

Primary citation

Nemecek, C.,Metz, W.A.,Wentzler, S.,Ding, F.X.,Venot, C.,Souaille, C.,Dagallier, A.,Maignan, S.,Guilloteau, J.P.,Bernard, F.,Henry, A.,Grapinet, S.,Lesuisse, D.
Design of Potent IGF1-R Inhibitors Related to Bis-azaindoles
Chem.Biol.Drug Des., 76:100-106, 2010

PubMed Abstract: From an azaindole lead, identified in high throughput screen, a series of potent bis-azaindole inhibitors of IGF1-R have been synthesized using rational drug design and SAR based on a in silico binding mode hypothesis. Although the resulting compounds produced the expected improved potency, the model was not validated by the co-crystallization experiments with IGF1-R.

PubMed: 20545947
DOI: 10.1111/j.1747-0285.2010.00991.x

Experimental method

X-RAY DIFFRACTION (3 Å)