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Pocketome of Human Kinases: Prioritizing the ATP Binding Sites of (Yet) Untapped Protein Kinases for Drug Discovery
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527633470openalex-snapshot
Protein Kinases as Drug Targets
inferredcites →https://doi.org/10.1002/pro.355openalex-snapshot
An enriched structural kinase database to enable kinome‐wide structure‐based analyses and drug discovery
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Druggability predictions: methods, limitations, and applications
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Basic Local Alignment Search Tool
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Case Study—Structural Genomics and Human Protein Kinases
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Druggability of methyl-lysine binding sites
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Relationship between the inhibition constant (KI) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction
inferredcites →https://doi.org/10.1016/j.cell.2012.02.053openalex-snapshot
Dynamic Reprogramming of the Kinome in Response to Targeted MEK Inhibition in Triple-Negative Breast Cancer
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Ins and Outs of Kinase DFG Motifs
inferredcites →https://doi.org/10.1021/cb300663jopenalex-snapshot
Strategies for the Selective Regulation of Kinases with Allosteric Modulators: Exploiting Exclusive Structural Features
inferredcites →https://doi.org/10.1021/ci100235nopenalex-snapshot
Comprehensive Structural and Functional Characterization of the Human Kinome by Protein Structure Modeling and Ligand Virtual Screening
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Analyzing the Topology of Active Sites: On the Prediction of Pockets and Subpockets
inferredcites →https://doi.org/10.1021/ci100479zopenalex-snapshot
Structural Chemistry of the Histone Methyltransferases Cofactor Binding Site
inferredcites →https://doi.org/10.1021/ci200266dopenalex-snapshot
DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set
inferredcites →https://doi.org/10.1021/ci200454vopenalex-snapshot
Combining Global and Local Measures for Structure-Based Druggability Predictions
inferredcites →https://doi.org/10.1021/ci800324mopenalex-snapshot
Identifying and Characterizing Binding Sites and Assessing Druggability
inferredcites →https://doi.org/10.1021/jm100574mopenalex-snapshot
Understanding and Predicting Druggability. A High-Throughput Method for Detection of Drug Binding Sites
inferredcites →https://doi.org/10.1021/jm300346wopenalex-snapshot
Druggability Analysis and Structural Classification of Bromodomain Acetyl-lysine Binding Sites
inferredcites →https://doi.org/10.1021/jm400378wopenalex-snapshot
KLIFS: A Knowledge-Based Structural Database To Navigate Kinase–Ligand Interaction Space
inferredcites →https://doi.org/10.1021/jm901137jopenalex-snapshot
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
inferredcites →https://doi.org/10.1038/nature05610openalex-snapshot
Patterns of somatic mutation in human cancer genomes
inferredcites →https://doi.org/10.1038/nbt1273openalex-snapshot
Structure-based maximal affinity model predicts small-molecule druggability
inferredcites →https://doi.org/10.1038/nbt1358openalex-snapshot
A quantitative analysis of kinase inhibitor selectivity
inferredcites →https://doi.org/10.1038/nrc2559openalex-snapshot
Targeting cancer with small molecule kinase inhibitors
inferredcites →https://doi.org/10.1038/nrc3563openalex-snapshot
Role of ABL family kinases in cancer: from leukaemia to solid tumours
inferredcites →https://doi.org/10.1038/nrd3913openalex-snapshot
Objective assessment of cancer genes for drug discovery
inferredcites →https://doi.org/10.1042/bst0391365openalex-snapshot
Collation and data-mining of literature bioactivity data for drug discovery
inferredcites →https://doi.org/10.1073/pnas.0808019105openalex-snapshot
Kinase requirements in human cells: I. Comparing kinase requirements across various cell types
inferredcites →https://doi.org/10.1093/bioinformatics/btm404openalex-snapshot
Clustal W and Clustal X version 2.0
inferredcites →https://doi.org/10.1093/database/bau035openalex-snapshot
TuberQ: a Mycobacterium tuberculosis protein druggability database
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1093/nar/gkt1031openalex-snapshot
The ChEMBL bioactivity database: an update
inferredcites →https://doi.org/10.1093/nar/gkt1182openalex-snapshot
canSAR: updated cancer research and drug discovery knowledgebase
inferredcites →https://doi.org/10.1093/nar/gku469openalex-snapshot
Activities at the Universal Protein Resource (UniProt)
inferredcites →https://doi.org/10.1093/protein/12.2.85openalex-snapshot
Twilight zone of protein sequence alignments
inferredcites →https://doi.org/10.1101/gad.1394306openalex-snapshot
CKI, there's more than one: casein kinase I family members in Wnt and Hedgehog signaling
inferredcites →https://doi.org/10.1101/gr.6431107openalex-snapshot
A multidimensional analysis of genes mutated in breast and colorectal cancers
inferredcites →https://doi.org/10.1107/s0021889892009944openalex-snapshot
PROCHECK: a program to check the stereochemical quality of protein structures
inferredcites →https://doi.org/10.1107/s0907444909042073openalex-snapshot
MolProbity : all-atom structure validation for macromolecular crystallography
inferredcites →https://doi.org/10.1111/j.1476-5381.2009.00567.xopenalex-snapshot
The mixed‐lineage kinase 1–3 signalling pathway regulates stress response in cardiac myocytes via GATA‐4 and AP‐1 transcription factors
inferredcites →https://doi.org/10.1126/science.1075762openalex-snapshot
The Protein Kinase Complement of the Human Genome
inferredcites →https://doi.org/10.1126/science.1145720openalex-snapshot
The Genomic Landscapes of Human Breast and Colorectal Cancers
inferredcites →https://doi.org/10.1155/2013/151839openalex-snapshot
Phosphorylation-Mediated Regulation of Alternative Splicing in Cancer
inferredcites →https://doi.org/10.1155/2013/898563openalex-snapshot
Quantifying Changes in the Cellular Thiol-Disulfide Status during Differentiation of B Cells into Antibody-Secreting Plasma Cells
inferredcites →https://doi.org/10.1159/000087137openalex-snapshot
The Role of the Casein Kinase 1 (CK1) Family in Different Signaling Pathways Linked to Cancer Development
inferredcites →https://doi.org/10.1186/1471-2105-10-168openalex-snapshot
Fpocket: An open source platform for ligand pocket detection
inferredcites →https://doi.org/10.1186/1471-2105-10-s6-s13openalex-snapshot
A chemogenomics view on protein-ligand spaces
inferredcites →https://doi.org/10.1517/17460441.3.4.391openalex-snapshot
A structural biology view of target drugability
inferredcites →https://doi.org/10.1615/critrevoncog.v17.i2.70openalex-snapshot
Targeting the Human Kinome for Cancer Therapy: Current Perspectives
inferredcites →https://doi.org/10.25080/majora-92bf1922-00aopenalex-snapshot
Data Structures for Statistical Computing in Python
inferredcites →https://doi.org/10.4155/fmc.14.3openalex-snapshot
Exploiting Structural Information for Drug-Target Assessment
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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A Structural View on Druggability
inferred← citeshttps://doi.org/10.1002/9783527683031.ch4openalex-snapshot
Protein Kinases and Caspases: Bidirectional Interactions in Apoptosis
inferred← citeshttps://doi.org/10.1002/cmdc.201700636openalex-snapshot
A Comprehensive Structural Overview of p38α Mitogen‐Activated Protein Kinase in Complex with ATP‐Site and Non‐ATP‐Site Binders
inferred← citeshttps://doi.org/10.1002/prot.25756openalex-snapshot
Modeling conformational flexibility of kinases in inactive states
inferred← citeshttps://doi.org/10.1007/s00214-016-2012-8openalex-snapshot
A theoretical model of the interaction between phosphates in the ATP molecule and guanidinium systems
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Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches
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Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space
inferred← citeshttps://doi.org/10.1016/bs.armc.2017.08.001openalex-snapshot
Kinase-Centric Computational Drug Development
inferred← citeshttps://doi.org/10.1016/j.bioorg.2020.103828openalex-snapshot
Design and synthesis of 3,5-substituted 1,2,4-oxadiazoles as catalytic inhibitors of human DNA topoisomerase IIα
inferred← citeshttps://doi.org/10.1016/j.chembiol.2018.10.011openalex-snapshot
Covalent Docking Identifies a Potent and Selective MKK7 Inhibitor
inferred← citeshttps://doi.org/10.1016/j.drudis.2018.01.035openalex-snapshot
Progress with covalent small-molecule kinase inhibitors
inferred← citeshttps://doi.org/10.1016/j.jmgm.2026.109608openalex-snapshot
Cross-method dynamic mapping of non-orthosteric pocket families in wild-type and G1202R-mutant ALK kinase domains
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Cancer TARGETases: DSB repair as a pharmacological target
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An Open Library of Human Kinase Domain Constructs for Automated Bacterial Expression
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00815openalex-snapshot
Is Structure-Based Drug Design Ready for Selectivity Optimization?
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00627openalex-snapshot
Identification and Visualization of Kinase-Specific Subpockets
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00709openalex-snapshot
Effect of Binding Pose and Modeled Structures on SVMGen and GlideScore Enrichment of Chemical Libraries
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00832openalex-snapshot
Advances and Challenges in Computational Target Prediction
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00332openalex-snapshot
D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00722openalex-snapshot
Small Molecule Reversible Inhibitors of Bruton’s Tyrosine Kinase (BTK): Structure–Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177)
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Profiling Prediction of Kinase Inhibitors: Toward the Virtual Assay
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Predicting the Activities of Drug Excipients on Biological Targets using One-Shot Learning
inferred← citeshttps://doi.org/10.1039/c9ra07471fopenalex-snapshot
Novel method to identify group-specific non-catalytic pockets of human kinome for drug design
inferred← citeshttps://doi.org/10.1042/bsr20160180openalex-snapshot
Bioinformatics in translational drug discovery
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Systems medicine approaches for peptide array-based protein kinase profiling: progress and prospects
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Prediction of protein–ligand binding affinity via deep learning models
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Cell wall peptidoglycan inMycobacterium tuberculosis: An Achilles’ heel for the TB-causing pathogen
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KinMap: a web-based tool for interactive navigation through human kinome data
inferred← citeshttps://doi.org/10.1186/s12859-019-3254-yopenalex-snapshot
HKPocket: human kinase pocket database for drug design
inferred← citeshttps://doi.org/10.1186/s13071-018-3197-6openalex-snapshot
Interactive online application for the prediction, ranking and prioritisation of drug targets in Schistosoma haematobium
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DeepDrug3D: Classification of ligand-binding pockets in proteins with a convolutional neural network
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Towards a comprehensive view of the pocketome universe—biological implications and algorithmic challenges
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1314176/v1openalex-snapshot
Evaluating the Therapeutic Viability of Bacterially Expressed Human TLK1B-Kinase Domain for Cancer Drug Design
inferred← citeshttps://doi.org/10.3390/molecules200915842openalex-snapshot
p38α MAPK and Type I Inhibitors: Binding Site Analysis and Use of Target Ensembles in Virtual Screening
inferred← citeshttps://doi.org/10.3390/molecules26030651openalex-snapshot
Druggable Transient Pockets in Protein Kinases
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Hot springs as a Source for Studying Rhomboid Protease Genes and Inhibitors in Silico Study
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