First-in-Class Allosteric Inhibitors of DNMT3A Disrupt Protein–Protein Interactions and Induce Acute Myeloid Leukemia Cell Differentiation

A Novel Class of Selective Non-Nucleoside Inhibitors of Human DNA Methyltransferase 3A

(2021) Sunzeyu Huang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Features and mechanisms of canonical and noncanonical genomic imprinting

(2021) Courtney W. Hanna et al.   GENES & DEVELOPMENT

Targeting a cryptic allosteric site of SIRT6 with small-molecule inhibitors that inhibit the migration of pancreatic cancer cells

(2021) Qiufen Zhang et al.   Acta Pharmaceutica Sinica B

Structure-Guided Identification of DNMT3B Inhibitors

(2020) Ana S. Newton et al.   ACS Medicinal Chemistry Letters

Targeting epigenetic protein–protein interactions with small-molecule inhibitors

(2020) Brian M Linhares et al.   Future Medicinal Chemistry

Mutations in the DNMT3A DNA methyltransferase in acute myeloid leukemia patients cause both loss and gain of function and differential regulation by protein partners

(2019) Jonathan E. Sandoval et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening

(2019) Patrick J. Ropp et al.   Journal of Cheminformatics

DNA methyltransferases: emerging targets for the discovery of inhibitors as potent anticancer drugs

(2019) Jie Yu et al.   DRUG DISCOVERY TODAY

Key Topics in Molecular Docking for Drug Design

(2019) Pedro H. M. Torres et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Targeting epigenetic machinery: Emerging novel allosteric inhibitors

(2019) Fei Ye et al.   PHARMACOLOGY & THERAPEUTICS

The R882H substitution in the human de novo DNA methyltransferase DNMT3A disrupts allosteric regulation by the tumor supressor p53

(2019) Jonathan E. Sandoval et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity

(2018) Antoni R. Blaazer et al.   JOURNAL OF MEDICINAL CHEMISTRY

SWISS-MODEL: homology modelling of protein structures and complexes

(2018) Andrew Waterhouse et al.   NUCLEIC ACIDS RESEARCH

Epigenetic reprogramming using 5-azacytidine promotes an anti-cancer response in pancreatic adenocarcinoma cells

(2018) Luc Gailhouste et al.   Cell Death & Disease

Loss of Dnmt3a Immortalizes Hematopoietic Stem Cells In Vivo

(2018) Mira Jeong et al.   Cell Reports

Epigenetic tools (The Writers, The Readers and The Erasers) and their implications in cancer therapy

(2018) Subhankar Biswas et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Epigenetic regulation of MAGE family in human cancer progression-DNA methylation, histone modification, and non-coding RNAs

(2018) Yishui Lian et al.   Clinical Epigenetics

An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of EED

(2017) Wei Qi et al.   Nature Chemical Biology

Identification of potent, selective KDM5 inhibitors

(2016) Victor S. Gehling et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

DOT1L as a therapeutic target for the treatment of DNMT3A -mutant acute myeloid leukemia

(2016) Rachel E. Rau et al.   BLOOD

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

3CAPS – a structural AP–site analogue as a tool to investigate DNA base excision repair

(2016) David Schuermann et al.   NUCLEIC ACIDS RESEARCH

DNMT3A R882 mutants interact with polycomb proteins to block haematopoietic stem and leukaemic cell differentiation

(2016) Junji Koya et al.   Nature Communications

Dnmt3a regulates myeloproliferation and liver-specific expansion of hematopoietic stem and progenitor cells

(2015) O A Guryanova et al.   LEUKEMIA

Targeting Polycomb systems to regulate gene expression: modifications to a complex story

(2015) Neil P. Blackledge et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

DNA methylation pathways and their crosstalk with histone methylation

(2015) Jiamu Du et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

The R882H DNMT3A Mutation Associated with AML Dominantly Inhibits Wild-Type DNMT3A by Blocking Its Ability to Form Active Tetramers

(2014) David A. Russler-Germain et al.   CANCER CELL

Impact of MLL5 expression on decitabine efficacy and DNA methylation in acute myeloid leukemia

(2014) H. Yun et al.   HAEMATOLOGICA

Clinical development of demethylating agents in hematology

(2014) Shyamala C. Navada et al.   JOURNAL OF CLINICAL INVESTIGATION

Selective Non-nucleoside Inhibitors of Human DNA Methyltransferases Active in Cancer Including in Cancer Stem Cells

(2014) Sergio Valente et al.   JOURNAL OF MEDICINAL CHEMISTRY

5-Azacytidine enhances the anti-leukemic activity of lintuzumab (SGN-33) in preclinical models of acute myeloid leukemia

(2014) May Kung Sutherland et al.   mAbs

Structural insight into autoinhibition and histone H3-induced activation of DNMT3A

(2014) Xue Guo et al.   NATURE

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Clinical impact of DNMT3A mutations in younger adult patients with acute myeloid leukemia: results of the AML Study Group (AMLSG)

(2013) V. I. Gaidzik et al.   BLOOD

Exploiting an Allosteric Binding Site of PRMT3 Yields Potent and Selective Inhibitors

(2013) Feng Liu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Induced differentiation of acute myeloid leukemia cells by activation of retinoid X and liver X receptors

(2013) P V Sanchez et al.   LEUKEMIA

Mutations in DNA Methyltransferase (DNMT3A) Observed in Acute Myeloid Leukemia Patients Disrupt Processive Methylation

(2012) Celeste Holz-Schietinger et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

An Allosteric Inhibitor of Protein Arginine Methyltransferase 3

(2012) Alena Siarheyeva et al.   STRUCTURE

Histone tails regulate DNA methylation by allosterically activating de novo methyltransferase

(2011) Bin-Zhong Li et al.   CELL RESEARCH

Rapid Synthesis of New DNMT Inhibitors Derivatives of Procainamide

(2011) Ludovic Halby et al.   CHEMBIOCHEM

Oligomerization of DNMT3A Controls the Mechanism ofde NovoDNA Methylation

(2011) Celeste Holz-Schietinger et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Identification of a second DNA binding site in human DNA methyltransferase 3A by substrate inhibition and domain deletion

(2010) Matthew M. Purdy et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

The Inherent Processivity of the Humande NovoMethyltransferase 3A (DNMT3A) Is Enhanced by DNMT3L

(2010) Celeste Holz-Schietinger et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Delivery of 5-Azacytidine to Human Cancer Cells by Elaidic Acid Esterification Increases Therapeutic Drug Efficacy

(2010) B. Brueckner et al.   MOLECULAR CANCER THERAPEUTICS

DNMT3AMutations in Acute Myeloid Leukemia

(2010) Timothy J. Ley et al.   NEW ENGLAND JOURNAL OF MEDICINE

Polycomb CBX7 Promotes Initiation of Heritable Repression of Genes Frequently Silenced with Cancer-Specific DNA Hypermethylation

(2009) H. P. Mohammad et al.   CANCER RESEARCH

A New Class of Quinoline-Based DNA Hypomethylating Agents Reactivates Tumor Suppressor Genes by Blocking DNA Methyltransferase 1 Activity and Inducing Its Degradation

(2009) J. Datta et al.   CANCER RESEARCH

DNA Methylation Predicts Survival and Response to Therapy in Patients With Myelodysplastic Syndromes

(2009) Lanlan Shen et al.   JOURNAL OF CLINICAL ONCOLOGY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

PRMT5-mediated methylation of histone H4R3 recruits DNMT3A, coupling histone and DNA methylation in gene silencing

(2009) Quan Zhao et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Modes of action of the DNA methyltransferase inhibitors azacytidine and decitabine

(2008) Carlo Stresemann et al.   INTERNATIONAL JOURNAL OF CANCER

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Epigenetic interplay between histone modifications and DNA methylation in gene silencing

(2008) T VAISSIERE et al.   MUTATION RESEARCH-REVIEWS IN MUTATION RESEARCH