A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation

Pooja Sharma, Robert Mahen, Maxim Rossmann, Jamie E. Stokes, Bryn Hardwick, David J. Huggins, Amy Emery, Dominique L. Kunciw, Marko Hyvönen, David R. Spring, Grahame J. McKenzie & Ashok R. Venkitaraman

 

https://www.nature.com/articles/s41598-019-50702-2

Scientific Reports

Structure and Pharmacology of the Apelin Receptor with a Recommendation that Elabela/Toddler Is a Second Endogenous Peptide Ligand

Cai ReadDuuamene NyimanuThomas L. WilliamsDavid J. HugginsPetra SulenticRobyn G. C. MacraePeiran YangRobert C. GlenJanet J. Maguire and Anthony P. Davenport

Pharmacological Reviews

Inhibition of 3-Phosphoglycerate Dehydrogenase (PHGDH) by Indole Amides Abrogates de novo Serine Synthesis in Cancer Cells

Edouard Mullarky, Jiayi Xu, Anita Robin, David Huggins, Andy Jennings, Naoyoshi Noguchi, Michael Miller, Nigel Liverton, Daisuke Tomita, Mayako Michino, Taojunfeng Su, Guoan Zhang, Andy Stamford, Peter Meinke, Stacia Kargman and Lewis C. Cantley

Bioorganic & Medicinal Chemistry Letters

A Large Scale Study of Hydration Environments Through Hydration Sites

Benedict W. J. Irwin, Sinisa Vukovic, Michael C. Payne, and David John Huggins

The Journal of Physical Chemistry B

Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity

David J. Huggins, Philip C. Biggin, Marc A. Dämgen, Jonathan W. Essex, Sarah A. Harris, Richard H. Henchman, Syma Khalid, Antonija Kuzmanic, Charles A. Laughton, Julien Michel, Adrian J. Mulholland, Edina Rosta, Mark S. P. Sansom, Marc W. van der Kamp

Wiley Interdisciplinary Reviews: Computational Molecular Science

Modulating Protein-Protein Interactions of the Mitotic Polo-like Kinases to Target Mutant KRAS

Ana J. Narvaez, Suzan Ber, Alex Crooks, Amy Emery, Bryn Hardwick, Estrella Guarino Almeida, David J. Huggins, David Perera, Meredith Roberts-Thomson, Roberta Azzarelli, Fiona E. Hood, Ian A. Prior, David W. Walker, Richard Boyce, Robert G. Boyle, Samuel P. Barker, Christopher J. Torrance, Grahame J. McKenzie, Ashok R. Venkitaraman

Cell Chemical Biology

Computationally-Guided Optimization of Small-Molecule Inhibitors of the Aurora A Kinase – TPX2 Protein-Protein Interaction

Daniel Cole,  Matej Janecek,  Jamie Stokes,  Maxim Rossmann,  John Faver,  Grahame McKenzie,  Ashok Venkitaraman,  Marko Hyvönen,  David R Spring,  David John Huggins  and  WL Jorgensen

Chemical Communications

Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2

Matej Janecek, Maxim Rossmann, Pooja Sharma, Amy Emery, David J Huggins, Simon R Stockwell, Jamie E Stokes, Yaw S Tan, Estrella Guarino Almeida, Bryn Hardwick, Ana J Narvaez, Marko Hyvönen, David R Spring, Grahame J McKenzie, Ashok R Venkitaraman

Scientific Reports - 2016

PARP1- dependent recruitment of KDM4D histone demethylase to DNA damage sites promotes double-strand break repair

Hanan Khoury-Haddad, Noga Guttmann-Raviv, Inbal Ipenberg, David Huggins, Anand D. Jeyasekharan, and Nabieh Ayoub

PNAS - 2014

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