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

scientific article published in May 2001

Inhibitor binding to active and inactive CDK2: the crystal structure of CDK2-cyclin A/indirubin-5-sulphonate is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1016/S0969-2126(01)00598-6
P3181OpenCitations bibliographic resource ID1811485
P698PubMed publication ID11377199

P50authorMartin NobleQ37391812
Doris MarkoQ42314581
P2093author name stringJ A Endicott
G Eisenbrand
L Meijer
P Tunnah
T G Davies
P2860cites workImproved methods for building protein models in electron density maps and the location of errors in these modelsQ26776980
Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activityQ27617593
The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinasesQ27620372
Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituentQ27621242
Identification of novel purine and pyrimidine cyclin-dependent kinase inhibitors with distinct molecular interactions and tumor cell growth inhibition profilesQ27626674
Multiple modes of ligand recognition: crystal structures of cyclin-dependent protein kinase 2 in complex with ATP and two inhibitors, olomoucine and isopentenyladenineQ27729294
Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complexQ27729793
Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2Q27746054
Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitorsQ27764855
Refinement of macromolecular structures by the maximum-likelihood methodQ27861011
The CCP4 suite: programs for protein crystallographyQ27861090
The regulation of E2F by pRB-family proteinsQ28278789
Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programsQ28285760
Cyclin-dependent kinases: engines, clocks, and microprocessorsQ29614786
MOLREP: an Automated Program for Molecular ReplacementQ29642797
A computational procedure for determining energetically favorable binding sites on biologically important macromoleculesQ30406755
Mechanisms of cyclin-dependent kinase regulation: structures of Cdks, their cyclin activators, and Cip and INK4 inhibitorsQ33604662
Chemical inhibitors of cyclin-dependent kinases: insights into design from X-ray crystallographic studies.Q33716140
Anticancer drug targets: cell cycle and checkpoint control.Q33801116
Preclinical and clinical development of cyclin-dependent kinase modulatorsQ33852851
Where the cell cycle and histones meetQ34037995
The Rb/E2F pathway: expanding roles and emerging paradigmsQ34052659
Selective killing of transformed cells by cyclin/cyclin-dependent kinase 2 antagonistsQ35124562
Cell-cycle regulators and cancerQ40514881
Indirubin, the active constituent of a Chinese antileukaemia medicine, inhibits cyclin-dependent kinasesQ40918567
Paullones, a series of cyclin-dependent kinase inhibitors: synthesis, evaluation of CDK1/cyclin B inhibition, and in vitro antitumor activityQ40939103
Cyclin A-kinase regulation of E2F-1 DNA binding function underlies suppression of an S phase checkpointQ42818873
Inhibition of cyclin-dependent kinases by purine analogues.Q49090586
CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsQ53340989
Active transcriptional repression by the Rb-E2F complex mediates G1 arrest triggered by p16INK4a, TGFbeta, and contact inhibitionQ77310904
P433issue5
P921main subjectcrystal structureQ895901
P304page(s)389-397
P577publication date2001-05-01
P1433published inStructureQ15709970
P1476titleInhibitor binding to active and inactive CDK2: the crystal structure of CDK2-cyclin A/indirubin-5-sulphonate
P478volume9

Reverse relations

cites work (P2860)
Q402795007-Bromoindirubin-3'-oxime induces caspase-independent cell death
Q38258171A colorful history: the evolution of indigoids.
Q41808100A computational study of the protein-ligand interactions in CDK2 inhibitors: using quantum mechanics/molecular mechanics interaction energy as a predictor of the biological activity.
Q80467476Can we use docking and scoring for hit-to-lead optimization?
Q36875177Characterization of anti-leukemia components from Indigo naturalis using comprehensive two-dimensional K562/cell membrane chromatography and in silico target identification
Q40513994Cyclin-dependent kinase inhibitor indirubin-3'-oxime selectively inhibits human papillomavirus type 16 E7-induced numerical centrosome anomalies
Q35185330Design, Synthesis and Biological Evaluation of Novel Pyrimido[4,5-d]pyrimidine CDK2 Inhibitors as Anti-Tumor Agents.
Q27640893Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Q44158321Dynamics and binding modes of free cdk2 and its two complexes with inhibitors studied by computer simulations
Q45293374From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors
Q27642879GSK-3-selective inhibitors derived from Tyrian purple indirubins
Q56984187How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis
Q27641909Imidazo[1,2-a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation
Q40568027Independent actions on cyclin-dependent kinases and aryl hydrocarbon receptor mediate the antiproliferative effects of indirubins
Q33770989Indirubin derivatives inhibit Stat3 signaling and induce apoptosis in human cancer cells
Q40265640Indirubin enhances tumor necrosis factor-induced apoptosis through modulation of nuclear factor-kappa B signaling pathway.
Q46662856Indirubin, a Chinese anti-leukaemia drug, promotes neutrophilic differentiation of human myelocytic leukaemia HL-60 cells
Q40126914Indirubin-3'-monoxime inhibits autophosphorylation of FGFR1 and stimulates ERK1/2 activity via p38 MAPK.
Q38670935Inhibition mechanism of CDK-2 and GSK-3β by a sulfamoylphenyl derivative of indoline-a molecular dynamics study
Q35722786Insights on Structural Characteristics and Ligand Binding Mechanisms of CDK2
Q38337597Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined
Q45125293Loop flexibility and solvent dynamics as determinants for the selective inhibition of cyclin-dependent kinase 4: comparative molecular dynamics simulation studies of CDK2 and CDK4.
Q38793351Methylisoindigo preferentially kills cancer stem cells by interfering cell metabolism via inhibition of LKB1 and activation of AMPK in PDACs
Q79280859Molecular dynamics simulations on the inhibition of cyclin-dependent kinases 2 and 5 in the presence of activators
Q41261391Molecular dynamics study of the inhibitory effects of ChEMBL474807 on the enzymes GSK-3β and CDK-2.
Q35876121Molecular mechanisms of indirubin and its derivatives: novel anticancer molecules with their origin in traditional Chinese phytomedicine
Q54981975Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
Q57147786On quantification of geometry and topology of protein pockets and channels for assessing mutation effects
Q34668264Polyphony: superposition independent methods for ensemble-based drug discovery
Q41161072Predicting the possibility of two newly isolated phenetheren ring containing compounds from Aristolochia manshuriensis as CDK2 inhibitors
Q41382561Preparation of coffee oil-algae oil-based nanoemulsions and the study of their inhibition effect on UVA-induced skin damage in mice and melanoma cell growth
Q34754652Progress toward the development of agents to modulate the cell cycle
Q44125156Progress toward virtual screening for drug side effects.
Q43891873Role of interactions and volume variation in discriminating active and inactive forms of cyclin-dependent kinase-2 inhibitor complexes
Q34651981Selectivity and potency of cyclin-dependent kinase inhibitors
Q37280604Soluble 3',6-substituted indirubins with enhanced selectivity toward glycogen synthase kinase -3 alter circadian period
Q38995743Structural Basis of the Interaction of Cyclin-Dependent Kinase 2 with Roscovitine and Its Analogues Having Bioisosteric Central Heterocycles.
Q44754701Structural basis for the synthesis of indirubins as potent and selective inhibitors of glycogen synthase kinase-3 and cyclin-dependent kinases
Q34792862Structure-based design of cyclin-dependent kinase inhibitors
Q51181955Study of the inhibition of cyclin-dependent kinases with roscovitine and indirubin-3'-oxime from molecular dynamics simulations.
Q37812360Synthesis and bioactivity of carbohydrate derivatives of indigo, its isomers and heteroanalogues
Q28481389Synthesis of a dual functional anti-MDR tumor agent PH II-7 with elucidations of anti-tumor effects and mechanisms
Q58764066Systematic pharmacological screens uncover novel pathways involved in cerebral cavernous malformations
Q38988591The Role of Indirubins in Inflammation and Associated Tumorigenesis.
Q39570078The alpha-fetoprotein (AFP) third domain: a search for AFP interaction sites of cell cycle proteins
Q41916440The use of workflows in the design and implementation of complex experiments in macromolecular crystallography
Q36836607Untangling tau hyperphosphorylation in drug design for neurodegenerative diseases.
Q43087656p21(Waf1/Cip1) deficiency stimulates centriole overduplication
Q36779990αC helix as a switch in the conformational transition of Src/CDK-like kinase domains

Search more.