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A systematic analysis of atomic protein-ligand interactions in the PDB

MedChemComm, 2017, Vol.8 (10), p.1970-1981

2017

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Structural biology and chemistry of protein arginine methyltransferases

MedChemComm, 2014-12, Vol.5 (12), p.1779-1788

2014

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Identification and Structure–Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors

Journal of medicinal chemistry, 2018-05, Vol.61 (10), p.4517-4527

2018

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Discovery of a Potent, Selective, and Cell-Active Dual Inhibitor of Protein Arginine Methyltransferase 4 and Protein Arginine Methyltransferase 6

Journal of medicinal chemistry, 2016-10, Vol.59 (19), p.9124-9139

2016

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Discovery of a Potent and Selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) Inhibitor by Virtual Screening

Journal of medicinal chemistry, 2016-07, Vol.59 (14), p.6838-6847

2016

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Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin

Journal of medicinal chemistry, 2017-11, Vol.60 (21), p.9090-9096

2017

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Methyltransferase Inhibitors: Competing with, or Exploiting the Bound Cofactor

Molecules (Basel, Switzerland), 2019-12, Vol.24 (24), p.4492

2019

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Assessing the performance of docking, FEP, and MM/GBSA methods on a series of KLK6 inhibitors

Journal of computer-aided molecular design, 2023-09, Vol.37 (9), p.407-418

2023

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Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2

Journal of medicinal chemistry, 2021-02, Vol.64 (3), p.1584-1592

2021

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TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma

Oncotarget, 2018-04, Vol.9 (26), p.18480-18493

2018

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Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6

Journal of medicinal chemistry, 2023-08, Vol.66 (15), p.10273-10288

2023

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Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3–9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase

Journal of medicinal chemistry, 2019-09, Vol.62 (17), p.7669-7683

2019

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Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor

Journal of medicinal chemistry, 2016-02, Vol.59 (3), p.1176-1183

2016

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Optimization of plasmepsin inhibitor by focusing on similar structural feature with chloroquine to avoid drug-resistant mechanism of Plasmodium falciparum

Bioorganic & medicinal chemistry letters, 2014-04, Vol.24 (7), p.1698-1701

2014

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Correction to: Assessing the performance of docking, FEP, and MM/GBSA methods on a series of KLK6 inhibitors

Journal of computer-aided molecular design, 2023-10, Vol.37 (10), p.505-505

2023

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Systematic analysis of atomic protein–ligand interactions in the PDB

Acta crystallographica. Section A, Foundations and advances, 2018-07, Vol.74 (a1), p.a434-a434

2018

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A systematic analysis of atomic protein-ligand interactions in the PDBElectronic supplementary information (ESI) available. See DOI: 10.1039/c7md00381a

2017-10

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A systematic analysis of atomic protein–ligand interactions in the PDB† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7md00381a

MedChemComm, 2017-09, Vol.8 (10), p.1970-1981

2017

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Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain

Journal of medicinal chemistry, 2019-11, Vol.62 (22), p.10144-10155

2019

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Identification and characterization of the first fragment hits for SETDB1 Tudor domain

Bioorganic & medicinal chemistry, 2019-09, Vol.27 (17), p.3866-3878

2019

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Correction to Discovery of a Potent and Selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) Inhibitor by Virtual Screening

Journal of medicinal chemistry, 2016-08, Vol.59 (16), p.7698-7698

2016

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Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity

Journal of molecular modeling, 2009-10, Vol.15 (10), p.1175-1184

2009

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Effect of Intravenous Fluid Treatment With a Balanced Solution vs 0.9% Saline Solution on Mortality in Critically Ill Patients: The BaSICS Randomized Clinical Trial

JAMA : the journal of the American Medical Association, 2021-09, Vol.326 (9), p.818

2021

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Bacterial volatile organic compounds induce adverse ultrastructural changes and DNA damage to the sugarcane pathogenic fungus Thielaviopsis ethacetica

Environmental microbiology, 2022-03, Vol.24 (3), p.1430-1453

2022

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A systematic analysis of atomic protein-ligand interactions in the PDB

Structural biology and chemistry of protein arginine methyltransferases

Identification and Structure–Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors

Discovery of a Potent, Selective, and Cell-Active Dual Inhibitor of Protein Arginine Methyltransferase 4 and Protein Arginine Methyltransferase 6

Discovery of a Potent and Selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) Inhibitor by Virtual Screening

Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin

Methyltransferase Inhibitors: Competing with, or Exploiting the Bound Cofactor

Assessing the performance of docking, FEP, and MM/GBSA methods on a series of KLK6 inhibitors

Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2

A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization

TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma

Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6

Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3–9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase

Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor

Optimization of plasmepsin inhibitor by focusing on similar structural feature with chloroquine to avoid drug-resistant mechanism of Plasmodium falciparum

Correction to: Assessing the performance of docking, FEP, and MM/GBSA methods on a series of KLK6 inhibitors

Systematic analysis of atomic protein–ligand interactions in the PDB

A systematic analysis of atomic protein-ligand interactions in the PDBElectronic supplementary information (ESI) available. See DOI: 10.1039/c7md00381a

A systematic analysis of atomic protein–ligand interactions in the PDB† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7md00381a

Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain

Identification and characterization of the first fragment hits for SETDB1 Tudor domain

Correction to Discovery of a Potent and Selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) Inhibitor by Virtual Screening

Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity

Effect of Intravenous Fluid Treatment With a Balanced Solution vs 0.9% Saline Solution on Mortality in Critically Ill Patients: The BaSICS Randomized Clinical Trial

Bacterial volatile organic compounds induce adverse ultrastructural changes and DNA damage to the sugarcane pathogenic fungus Thielaviopsis ethacetica

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