(Q51181955)

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29 January 2020

title

Study of the inhibition of cyclin-dependent kinases with roscovitine and indirubin-3'-oxime from molecular dynamics simulations (English)

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29 January 2020

2

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29 January 2020

Kian-Meng Lim

3

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29 January 2020

Tong-Earn Tay

4

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29 January 2020

Shulin Zhuang

5

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29 January 2020

author name string

Bing Zhang

1

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29 January 2020

publication date

13 June 2006

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Journal of Molecular Modeling

29 January 2020

published in

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29 January 2020

volume

13

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29 January 2020

issue

1

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29 January 2020

page(s)

79-89

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https://scigraph.springernature.com/pub.10.1007/s00894-006-0127-x

29 January 2020

exact match

0 references

cites work

Dynamics and binding modes of free cdk2 and its two complexes with inhibitors studied by computer simulations

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS00894-006-0127-X

Indirubin, the active constituent of a Chinese antileukaemia medicine, inhibits cyclin-dependent kinases

21 January 2018

1 reference

12 December 2020

Role of cdk5 in the pathogenesis of Alzheimer's disease

1 reference

12 December 2020

Loop flexibility and solvent dynamics as determinants for the selective inhibition of cyclin-dependent kinase 4: comparative molecular dynamics simulation studies of CDK2 and CDK4.

1 reference

12 December 2020

Hydrogen bonding in globular proteins

1 reference

12 December 2020

Interaction of amiloride and one of its derivatives with Vpu from HIV-1: a molecular dynamics simulation

1 reference

12 December 2020

Cyclin-dependent kinase 5 in amyotrophic lateral sclerosis

1 reference

12 December 2020

Density functional study of the enzymatic reaction catalyzed by a cyclin-dependent kinase

1 reference

12 December 2020

Chemical inhibitors of cyclin-dependent kinases: insights into design from X-ray crystallographic studies.

1 reference

12 December 2020

Small molecules as inhibitors of cyclin-dependent kinases

1 reference

12 December 2020

Molecular model of cyclin-dependent kinase 5 complexed with roscovitine

1 reference

12 December 2020

The mechanism of inhibition of the cyclin-dependent kinase-2 as revealed by the molecular dynamics study on the complex CDK2 with the peptide substrate HHASPRK

1 reference

12 December 2020

High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design

1 reference

12 December 2020

Complexities in the development of cyclin-dependent kinase inhibitor drugs

1 reference

12 December 2020

Structural basis for specificity and potency of a flavonoid inhibitor of human CDK2, a cell cycle kinase.

1 reference

12 December 2020

Inhibition of cyclin-dependent kinases by purine analogues: crystal structure of human cdk2 complexed with roscovitine

1 reference

12 December 2020

A computational model of binding thermodynamics: the design of cyclin-dependent kinase 2 inhibitors

1 reference

12 December 2020

Cyclin-Dependent Kinases

1 reference

12 December 2020

From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors

1 reference

12 December 2020

Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2

1 reference

12 December 2020

Pharmacological inhibitors of cyclin-dependent kinases

1 reference

12 December 2020

The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinases

1 reference

12 December 2020

Identification of novel purine and pyrimidine cyclin-dependent kinase inhibitors with distinct molecular interactions and tumor cell growth inhibition profiles

1 reference

12 December 2020

Cyclin-dependent kinase inhibitors: useful targets in cell cycle regulation

1 reference

12 December 2020

A family of human cdc2-related protein kinases

1 reference

12 December 2020

Inhibitor binding to active and inactive CDK2: the crystal structure of CDK2-cyclin A/indirubin-5-sulphonate

1 reference

12 December 2020

Mechanism of CDK5/p25 binding by CDK inhibitors

1 reference

12 December 2020

Activation and inhibition of cyclin-dependent kinase-2 by phosphorylation; a molecular dynamics study reveals the functional importance of the glycine-rich loop

1 reference

12 December 2020

Cdk5 as a drug target for the treatment of Alzheimer's disease

1 reference

12 December 2020

X-ray studies of water in crystals of lysozyme

1 reference

12 December 2020

The atomic structure of crystalline porcine pancreatic elastase at 2.5 Å resolution: Comparisons with the structure of α-chymotrypsin

1 reference

12 December 2020

Biochemical and cellular effects of roscovitine, a potent and selective inhibitor of the cyclin-dependent kinases cdc2, cdk2 and cdk5.

1 reference

12 December 2020

Crystal structure of cyclin-dependent kinase 2

1 reference

12 December 2020

Small-molecule inhibitors of the cell cycle

1 reference

12 December 2020

Cyclin-dependent kinase 5 is a mediator of dopaminergic neuron loss in a mouse model of Parkinson's disease

1 reference

12 December 2020

Animal cell cycles and their control

1 reference

12 December 2020

Three-dimensional model of the cyclin-dependent kinase 1 (CDK1): Ab initio active site parameters for molecular dynamics studies of CDKS

1 reference

12 December 2020

Deregulation of cdk5, hyperphosphorylation, and cytoskeletal pathology in the Niemann-Pick type C murine model.

1 reference

12 December 2020

The refined crystal structure of bovine beta-trypsin at 1.8 A resolution. II. Crystallographic refinement, calcium binding site, benzamidine binding site and active site at pH 7.0

1 reference

12 December 2020

10.1007/S00894-006-0127-X

Identifiers

DOI

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29 January 2020

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