2r3q: Difference between revisions

Revision as of 19:17, 28 July 2008

This article has been automatically seeded. Changes to this page should pertain to the PDB entry only and not to the protein or biomolecule in general.

File:2r3q.png

Template:STRUCTURE 2r3q

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitorCrystal Structure of Cyclin-Dependent Kinase 2 with inhibitor

Template:ABSTRACT PUBMED 17937404

About this StructureAbout this Structure

2R3Q is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Structure-guided discovery of cyclin-dependent kinase inhibitors., Fischmann TO, Hruza A, Duca JS, Ramanathan L, Mayhood T, Windsor WT, Le HV, Guzi TJ, Dwyer MP, Paruch K, Doll RJ, Lees E, Parry D, Seghezzi W, Madison V, Biopolymers. 2007 Oct 15;. PMID:17937404

Versatile templates for the development of novel kinase inhibitors: Discovery of novel CDK inhibitors., Dwyer MP, Paruch K, Alvarez C, Doll RJ, Keertikar K, Duca J, Fischmann TO, Hruza A, Madison V, Lees E, Parry D, Seghezzi W, Sgambellone N, Shanahan F, Wiswell D, Guzi TJ, Bioorg Med Chem Lett. 2007 Nov 15;17(22):6216-9. Epub 2007 Sep 8. PMID:17904366

Page seeded by OCA on Mon Jul 28 19:17:35 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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-[[Image:2r3q.jpg|left|200px]]
+{{Seed}}
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 {{STRUCTURE_2r3q|  PDB=2r3q  |  SCENE=  }}
-'''Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor'''
+===Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor===
-==Overview==
+<!--
-CDK2 inhibitors containing the related bicyclic heterocycles pyrazolopyrimidines and imidazopyrazines were discovered through high-throughput screening. Crystal structures of inhibitors with these bicyclic cores and two more related ones show that all but one have a common binding mode featuring two hydrogen bonds (H-bonds) to the backbone of the kinase hinge region. Even though ab initio computations indicated that the imidazopyrazine core would bind more tightly to the hinge, pyrazolopyrimidines gain an advantage in potency through participation of N4 in an H-bond network involving two catalytic residues and bridging water molecules. Further insight into inhibitor/CDK2 interactions was gained from analysis of additional crystal structures. Significant gains in potency were obtained by optimizing the fit of hydrophobic substituents to the gatekeeper region of the ATP binding site. The most potent inhibitors have good selectivity. (c) 2007 Wiley Periodicals, Inc. Biopolymers, 2007.
+The line below this paragraph, {{ABSTRACT_PUBMED_17937404}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 17937404 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_17937404}}
 ==About this Structure==
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 ==Reference==
 Structure-guided discovery of cyclin-dependent kinase inhibitors., Fischmann TO, Hruza A, Duca JS, Ramanathan L, Mayhood T, Windsor WT, Le HV, Guzi TJ, Dwyer MP, Paruch K, Doll RJ, Lees E, Parry D, Seghezzi W, Madison V, Biopolymers. 2007 Oct 15;. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17937404 17937404]
+Versatile templates for the development of novel kinase inhibitors: Discovery of novel CDK inhibitors., Dwyer MP, Paruch K, Alvarez C, Doll RJ, Keertikar K, Duca J, Fischmann TO, Hruza A, Madison V, Lees E, Parry D, Seghezzi W, Sgambellone N, Shanahan F, Wiswell D, Guzi TJ, Bioorg Med Chem Lett. 2007 Nov 15;17(22):6216-9. Epub 2007 Sep 8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17904366 17904366]
 [[Category: Cyclin-dependent kinase]]
 [[Category: Homo sapiens]]
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 [[Category: Serine/threonine-protein kinase]]
 [[Category: Transferase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 16:11:57 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 19:17:35 2008''