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Using multiple convolutional window scanning of convolutional neural network for an efficient prediction of ATP‐binding sites in transport proteins

Proteins, structure, function, and bioinformatics, 2022-07, Vol.90 (7), p.1486-1492

2022

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Searching for new mTOR kinase inhibitors: Analysis of binding sites and validation of docking protocols

Chemical biology & drug design, 2023-01, Vol.101 (1), p.103-119

2023

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Split tasks of asymmetric nucleotide‐binding sites in the heterodimeric ABC exporter EfrCD

The FEBS journal, 2017-06, Vol.284 (11), p.1672-1687

2017

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TargetATPsite: A template-free method for ATP-binding sites prediction with residue evolution image sparse representation and classifier ensemble

Journal of computational chemistry, 2013-04, Vol.34 (11), p.974-985

2013

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ATP gatekeeper of Plasmodium protein kinase may provide the opportunity to develop selective antimalarial drugs with multiple targets

Asian Pacific journal of tropical medicine, 2020-08, Vol.13 (8), p.350-357

2020

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Crystal Structures of Apo- and AMP-bound Human c-Jun N-Terminal Kinase3

Bulletin of the Korean Chemical Society, 2016, 37(8), , pp.1360-1363

2016

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On the Origins of Enzyme Inhibitor Selectivity and Promiscuity: A Case Study of Protein Kinase Binding to Staurosporine

Chemical biology & drug design, 2009-07, Vol.74 (1), p.16-24

2009

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Classification of small molecule protein kinase inhibitors based upon the structures of their drug-enzyme complexes

Pharmacological research, 2016-01, Vol.103, p.26-48

Roskoski, Robert

2016

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A historical overview of protein kinases and their targeted small molecule inhibitors

Pharmacological research, 2015-10, Vol.100, p.1-23

Roskoski, Robert

2015

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The three-dimensional structure of MAP kinase p38β: different features of the ATP-binding site in p38β compared with p38α

Acta crystallographica. Section D, Biological crystallography., 2009-08, Vol.65 (8), p.777-785

2009

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Janus kinase (JAK) inhibitors in the treatment of inflammatory and neoplastic diseases

Pharmacological research, 2016-09, Vol.111, p.784-803

Roskoski, Robert

2016

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Cyclin-dependent protein kinase inhibitors including palbociclib as anticancer drugs

Pharmacological research, 2016-05, Vol.107, p.249-275

Roskoski, Robert

2016

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Exploring the interaction of N-(benzothiazol-2-yl)pyrrolamide DNA gyrase inhibitors with the GyrB ATP-binding site lipophilic floor: A medicinal chemistry and QTAIM study

Bioorganic & medicinal chemistry, 2024-07, Vol.109, p.117798, Article 117798

2024

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Breaking the 'undruggable' barrier: Revealing molecular mechanisms in Aurora Kinase A/Myc protein interplay targeting cancers

Medical hypotheses, 2024-04, Vol.185, p.111320, Article 111320

2024

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Targeting BCR-Abl in the treatment of Philadelphia-chromosome positive chronic myelogenous leukemia

Pharmacological research, 2022-04, Vol.178, p.106156-106156, Article 106156

Roskoski, Robert

2022

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Recent Advances in c-Jun N-Terminal Kinase (JNK) Inhibitors

Current medicinal chemistry, 2021-01, Vol.28 (3), p.607

2021

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W1038 near D-loop of NBD2 is a focal point for inter-domain communication in multidrug transporter Cdr1 of Candida albicans

Biochimica et biophysica acta. Biomembranes, 2018-05, Vol.1860 (5), p.965-972

2018

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Anti-angiogenic tyrosine kinase inhibitors: what is their mechanism of action?

Angiogenesis (London), 2010-03, Vol.13 (1), p.1-14

2010

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Estimating the true stability of the prehydrolytic outward-facing state in an ABC protein

eLife, 2023-10, Vol.12

2023

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HUMAN ORGANIC SOLUTE TRANSPORTERS UTTERED IN SMALL INTESTINE, LIVER, AND KIDNEY FOR HOMEOSTASIS

International journal of applied pharmaceutics, 2019-11, p.12-17

2019

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Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases

Bioorganic & medicinal chemistry, 2021-08, Vol.44, p.116283, Article 116283

2021

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Src protein–tyrosine kinase structure and regulation

Biochemical and biophysical research communications, 2004-11, Vol.324 (4), p.1155-1164

Roskoski, Robert

2004

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Key sites for P2X receptor function and multimerization: overview of mutagenesis studies on a structural basis

Current medicinal chemistry, 2015-01, Vol.22 (7), p.799

2015

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Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors

Bioorganic & medicinal chemistry, 2021-12, Vol.52, p.116514-116514, Article 116514

2021

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Molecular Basis of Kir6.2 Mutations Associated with Neonatal Diabetes or Neonatal Diabetes Plus Neurological Features

Proceedings of the National Academy of Sciences - PNAS, 2004-12, Vol.101 (50), p.17539-17544

2004

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Using multiple convolutional window scanning of convolutional neural network for an efficient prediction of ATP‐binding sites in transport proteins

Searching for new mTOR kinase inhibitors: Analysis of binding sites and validation of docking protocols

Split tasks of asymmetric nucleotide‐binding sites in the heterodimeric ABC exporter EfrCD

TargetATPsite: A template-free method for ATP-binding sites prediction with residue evolution image sparse representation and classifier ensemble

ATP gatekeeper of Plasmodium protein kinase may provide the opportunity to develop selective antimalarial drugs with multiple targets

Crystal Structures of Apo- and AMP-bound Human c-Jun N-Terminal Kinase3

On the Origins of Enzyme Inhibitor Selectivity and Promiscuity: A Case Study of Protein Kinase Binding to Staurosporine

Classification of small molecule protein kinase inhibitors based upon the structures of their drug-enzyme complexes

A historical overview of protein kinases and their targeted small molecule inhibitors

The three-dimensional structure of MAP kinase p38β: different features of the ATP-binding site in p38β compared with p38α

Janus kinase (JAK) inhibitors in the treatment of inflammatory and neoplastic diseases

Cyclin-dependent protein kinase inhibitors including palbociclib as anticancer drugs

Exploring the interaction of N-(benzothiazol-2-yl)pyrrolamide DNA gyrase inhibitors with the GyrB ATP-binding site lipophilic floor: A medicinal chemistry and QTAIM study

Breaking the 'undruggable' barrier: Revealing molecular mechanisms in Aurora Kinase A/Myc protein interplay targeting cancers

Targeting BCR-Abl in the treatment of Philadelphia-chromosome positive chronic myelogenous leukemia

Recent Advances in c-Jun N-Terminal Kinase (JNK) Inhibitors

W1038 near D-loop of NBD2 is a focal point for inter-domain communication in multidrug transporter Cdr1 of Candida albicans

Anti-angiogenic tyrosine kinase inhibitors: what is their mechanism of action?

Estimating the true stability of the prehydrolytic outward-facing state in an ABC protein

HUMAN ORGANIC SOLUTE TRANSPORTERS UTTERED IN SMALL INTESTINE, LIVER, AND KIDNEY FOR HOMEOSTASIS

Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases

Src protein–tyrosine kinase structure and regulation

Key sites for P2X receptor function and multimerization: overview of mutagenesis studies on a structural basis

Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors

Molecular Basis of Kir6.2 Mutations Associated with Neonatal Diabetes or Neonatal Diabetes Plus Neurological Features

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