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Discovery of Nanomolar DCAF1 Small Molecule Ligands

Journal Article · · Journal of Medicinal Chemistry
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  1. Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada; Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada
  2. Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C1, Canada
  3. Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada
  4. Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada
  5. X-Chem Inc., Waltham, Massachusetts 02453, United States
  6. Relay Therapeutics, Cambridge, Massachusetts 02139, United States
  7. Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada
  8. Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada; Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada
  9. Piramal Discovery Solutions, Pharmaceutical Special Economic Zone, Ahmedabad, Gujarat 382213, India
  10. Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada
  11. Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C1, Canada; Department of Medical Biophysics, University of Toronto, Toronto, Ontario M5G 1L7, Canada
  12. Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada; Department of Pharmacology and Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada; Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
+ Show Author Affiliations

Not provided.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-06CH11357
OSTI ID:
2423390
Journal Information:
Journal of Medicinal Chemistry, Journal Name: Journal of Medicinal Chemistry Journal Issue: 7 Vol. 66; ISSN 0022-2623
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English

References (45)

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HIV-1 Vpr Loads Uracil DNA Glycosylase-2 onto DCAF1, a Substrate Recognition Subunit of a Cullin 4A-RING E3 Ubiquitin Ligase for Proteasome-dependent Degradation journal September 2010
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VprBP (DCAF1): a promiscuous substrate recognition subunit that incorporates into both RING-family CRL4 and HECT-family EDD/UBR5 E3 ubiquitin ligases journal January 2013
HKL -3000: the integration of data reduction and structure solution – from diffraction images to an initial model in minutes journal July 2006
A novel DCAF1-binding motif required for Vpx-mediated degradation of nuclear SAMHD1 and Vpr-induced G2 arrest journal August 2012
CRISPR-Mediated Tagging of Endogenous Proteins with a Luminescent Peptide journal September 2017
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Molecular architecture and assembly of the DDB1–CUL4A ubiquitin ligase machinery journal October 2006
The DDB1–DCAF1–Vpr–UNG2 crystal structure reveals how HIV-1 Vpr steers human UNG2 toward destruction journal August 2016
Targeted Protein Degradation by Electrophilic PROTACs that Stereoselectively and Site-Specifically Engage DCAF1 journal September 2022
PROTACs: An Emerging Therapeutic Modality in Precision Medicine journal August 2020
DCAF1 (VprBP): emerging physiological roles for a unique dual-service E3 ubiquitin ligase substrate receptor journal December 2018
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A Family of Diverse Cul4-Ddb1-Interacting Proteins Includes Cdt2, which Is Required for S Phase Destruction of the Replication Factor Cdt1 journal September 2006
Coot model-building tools for molecular graphics journal November 2004
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Merlin/NF2 Loss-Driven Tumorigenesis Linked to CRL4DCAF1-Mediated Inhibition of the Hippo Pathway Kinases Lats1 and 2 in the Nucleus journal July 2014
How good are my data and what is the resolution? journal June 2013
HIV/Simian Immunodeficiency Virus (SIV) Accessory Virulence Factor Vpx Loads the Host Cell Restriction Factor SAMHD1 onto the E3 Ubiquitin Ligase Complex CRL4 DCAF1 journal February 2012
Cep78 controls centrosome homeostasis by inhibiting EDD‐DYRK2‐DDB1VprBP journal February 2017
PROteolysis TArgeting Chimeras (PROTACs) as emerging anticancer therapeutics journal May 2020
The HIV-1 protein Vpr targets the endoribonuclease Dicer for proteasomal degradation to boost macrophage infection journal September 2013
Machine Learning on DNA-Encoded Libraries: A New Paradigm for Hit Finding journal June 2020
Production of Recombinant PRMT Proteins using the Baculovirus Expression Vector System journal July 2021
NEDD8 and ubiquitin ligation by cullin-RING E3 ligases journal April 2021
Structure of the DDB1–CRBN E3 ubiquitin ligase in complex with thalidomide journal July 2014
Merlin/NF2 Functions Upstream of the Nuclear E3 Ubiquitin Ligase CRL4 DCAF1 to Suppress Oncogenic Gene ExpressionA presentation from the 50th Annual Meeting of the American Society for Cell Biology in Philadelphia, Pennsylvania, 11 to 15 December 2010. journal August 2011
The PROTAC technology in drug development: The PROTAC technology in drug development journal January 2019
HIV-1 Vpr activates host CRL4-DCAF1 E3 ligase to degrade histone deacetylase SIRT7 journal March 2021
E3 Ligase Ligands for PROTACs: How They Were Found and How to Discover New Ones journal April 2021
HIV-1 Vpr hijacks EDD-DYRK2-DDB1DCAF1 to disrupt centrosome homeostasis journal June 2018
Overview of the CCP 4 suite and current developments journal March 2011
Dyrk2-associated EDD-DDB1-VprBP E3 Ligase Inhibits Telomerase by TERT Degradation journal March 2013
Cytoplasmic retention of HIV-1 regulatory protein Vpr by protein-protein interaction with a novel human cytoplasmic protein VprBP journal January 2001
VprBP directs epigenetic gene silencing through histone H2A phosphorylation in colon cancer journal August 2021
A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function journal December 2012
UCSF Chimera?A visualization system for exploratory research and analysis journal January 2004
Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library journal February 2017
A Medicinal Chemist’s Guide to Molecular Interactions journal July 2010
VprBP Has Intrinsic Kinase Activity Targeting Histone H2A and Represses Gene Transcription journal November 2013
DDB1 functions as a linker to recruit receptor WD40 proteins to CUL4-ROC1 ubiquitin ligases journal November 2006
Merlin/NF2 Suppresses Tumorigenesis by Inhibiting the E3 Ubiquitin Ligase CRL4DCAF1 in the Nucleus journal February 2010
Molecular complexes at a glance: automated generation of two-dimensional complex diagrams journal April 2006

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