From Crystal Packing to Molecular Recognition: Prediction and Discovery of a Binding Site on the Surface of Polo-Like Kinase 1

被引：54

作者：

Sledz, Pawel ^{[1
]}

Stubbs, Christopher J. ^{[1
]}

Lang, Steffen ^{[1
]}

Yang, Yong-Qing ^{[1
]}

McKenzie, Grahame J. ^{[2
]}

Venkitaraman, Ashok R. ^{[2
]}

Hyvoenen, Marko ^{[3
]}

Abell, Chris ^{[1
]}

机构：

[1] Univ Cambridge, Univ Chem Lab, Cambridge CB2 1EW, England

[2] Hutchison MRC Res Ctr, Cambridge CB2 0XZ, England

[3] Univ Cambridge, Dept Biochem, Cambridge CB2 1GA, England

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2011年 / 50卷 / 17期

基金：

英国惠康基金;

关键词：

crystallography; kinases; molecular recognition; proteins; PROTEIN-PROTEIN INTERACTIONS; BOX DOMAIN; DRUG DISCOVERY; SUBSTRATE; INTERFACE; PLK1; LOCALIZATION;

D O I：

10.1002/anie.201008019

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Picking the pocket: Crystal-packing interactions are present in every macromolecular structure solved with X-ray methods; however, they have not been extensively used to gain insight into molecular recognition. A novel approach is described to utilize these packing interactions for the discovery of a flexible binding site and ligands recognized by it (see picture). © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：4003 / 4006

页数：4

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