دورية أكاديمية
أعرض في EDS

KLIFS: a structural kinase-ligand interaction database.

التفاصيل البيبلوغرافية
العنوان: KLIFS: a structural kinase-ligand interaction database.
المؤلفون: Kooistra AJ; Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, 1081 HV, The Netherlands., Kanev GK; Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, 1081 HV, The Netherlands., van Linden OP; Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, 1081 HV, The Netherlands., Leurs R; Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, 1081 HV, The Netherlands., de Esch IJ; Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, 1081 HV, The Netherlands., de Graaf C; Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, Amsterdam, 1081 HV, The Netherlands c.de.graaf@vu.nl.
المصدر: Nucleic acids research [Nucleic Acids Res] 2016 Jan 04; Vol. 44 (D1), pp. D365-71. Date of Electronic Publication: 2015 Oct 22.
نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't
اللغة: English
بيانات الدورية: Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1362-4962 (Electronic) Linking ISSN: 03051048 NLM ISO Abbreviation: Nucleic Acids Res Subsets: MEDLINE
أسماء مطبوعة: Publication: 1992- : Oxford : Oxford University Press
Original Publication: London, Information Retrieval ltd.
مواضيع طبية MeSH: Databases, Protein*, Protein Kinases/*chemistry, Agammaglobulinaemia Tyrosine Kinase ; Animals ; Catalytic Domain ; Humans ; Internet ; Ligands ; Mice ; Molecular Sequence Annotation ; Protein Kinase Inhibitors/chemistry ; Protein Kinases/metabolism ; Protein-Tyrosine Kinases/antagonists & inhibitors
مستخلص: Protein kinases play a crucial role in cell signaling and are important drug targets in several therapeutic areas. The KLIFS database contains detailed structural kinase-ligand interaction information derived from all (>2900) structures of catalytic domains of human and mouse protein kinases deposited in the Protein Data Bank in order to provide insights into the structural determinants of kinase-ligand binding and selectivity. The kinase structures have been processed in a consistent manner by systematically analyzing the structural features and molecular interaction fingerprints (IFPs) of a predefined set of 85 binding site residues with bound ligands. KLIFS has been completely rebuilt and extended (>65% more structures) since its first release as a data set, including: novel automated annotation methods for (i) the assessment of ligand-targeted subpockets and the analysis of (ii) DFG and (iii) αC-helix conformations; improved and automated protocols for (iv) the generation of sequence/structure alignments, (v) the curation of ligand atom and bond typing for accurate IFP analysis and (vi) weekly database updates. KLIFS is now accessible via a website (http://klifs.vu-compmedchem.nl) that provides a comprehensive visual presentation of different types of chemical, biological and structural chemogenomics data, and allows the user to easily access, compare, search and download the data.
(© The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.)
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المشرفين على المادة: 0 (Ligands)
0 (Protein Kinase Inhibitors)
EC 2.7.- (Protein Kinases)
EC 2.7.10.1 (Protein-Tyrosine Kinases)
EC 2.7.10.2 (Agammaglobulinaemia Tyrosine Kinase)
تواريخ الأحداث: Date Created: 20151027 Date Completed: 20160708 Latest Revision: 20190109
رمز التحديث: 20231215
مُعرف محوري في PubMed: PMC4702798
DOI: 10.1093/nar/gkv1082
PMID: 26496949
قاعدة البيانات: MEDLINE
الوصف
تدمد:1362-4962
DOI:10.1093/nar/gkv1082