Publications

Preprints

Metal fluorides - multi-functional tools for the study of phosphoryl transfer enzymes

E. Pellegrini, P. Juyoux, J. von Velsen, N.J. Baxter, H.R.W. Dannatt, Yi Jin, M.J. Cliff, J.P. Waltho* and M. W. Bowler*

bioRxiv, 2024, DOI: 10.1101/2024.03.25.586559

Peer Reviewed

Arginine Kinase Activates Arginine for Phosphorylation by Pyramidalization and Polarization

F. Falcion, R. W. Molt Jr., Y. Jin, J. P. Waltho, S. Hay*, N. G. J Richards*, G. Michael Blackburn*

ACS Catal., 2024, DOI:10.1021/acscatal.4c00380

Far-reaching Effects of Tyrosine64 Phosphorylation on Ras Revealed with BeF3– complexes

P. Baumann, Y. Jin*

Comm. Chem., 2024, DOI: 10.1038/s42004-024-01105-6

An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.

Q. Zhou, P. Catalan, H. Bell, P. Baumann, Rebekah Cooke, R. Evans, J. Yang, Z. Zhang, D. Zappala, Y. Zhang, G.M. Blackburn, Y. He*, Y. Jin*

ACS Cent. Sci., 2023, 9, 2339–2349.

Deciphering the Synthetic and Refolding Strategy of a Cysteine-Rich Domain in the Tumor Necrosis Factor Receptor (TNF-R) for Racemic Crystallography Analysis and D-Peptide Ligand Discover.
A.J. Lander, Y.F. Kong, Y. Jin, C.L. Wu, L.Y.P. Luk*.
ACS Bio. & Med. Chem. Au, 2023, DOI: 10.1021/acsbiomedchemau.3c00060

Roles of Inter- and Intramolecular Tryptophan Interactions in Membrane-active Proteins Revealed by Racemic Protein Crystallography.

A.J. Lander, L.D. Mercado, X. Li, I.M. Taily, B.L. Findlay*, Y. Jin*, L.Y.P Luk*

Comm. Chem., 2023, 6, 154.

Review: D-Peptide and D-Protein Technology: Recent Advances, Challenges, and Opportunities.

A.J. Lander, Y. Jin, L.Y.P. Luk

ChemBioChem, 2023, 24, e2022005, DOI: 10.1002/cbic.202200537.

Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases.

Z. Zhang, M. Dong, R. Zallot, G.M. Blackburn, N. Wang, C. Wang, L. Chen, P. Baumann, Z. Wu, Z. Wang, H. Fan, C. Roth, Y. Jin*, Y. He*

ACS Catal. 2023, 13, 1, 824–836.

The Role of Streptavidin and its Variants in Catalysis by Biotinylated Secondary Amines.

A.R. Nödling, N. Santi, R. Castillo, M. Lipka-Lloyd, Y. Jin, L.C. Morrill, K. Świderek*, V. Moliner*, L.Y.P. Luk*

Org. Biomol. Chem., 2021, 19, 10424.

The Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on beta-1,6 Mannanases.

S.P. Schröder, W.A. Offen, A. Males, Y. Jin, C. Boer, J. Enotarpi, L. Marino, G.A. van der Marel, B.I. Florea, J.D.C. Codée,

H.S. Overkleeft*, G.J. Davies*

Chem. Eur. J. 2021, 27, 9519-9523

Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.

M. Sharma, P. Abayakoon, R. Epa, Y. Jin, J. Lingford, T. Shimada, M. Nakano, A. Ishihama, J. Mui, E. Goddard-Borger*, G.J. Davies*, S.P. Williams*

ACS Cent. Sci. 2021, 7, 476-487

Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor.

M. Ge, R.W. Molt Jr, H.T. Jenkins, G.M. Blackburn, Y. Jin*, A.A. Antson*

ACS Catal. 2021, 11, 2769-2773

Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase.

M. Sharma, P. Abayakoon, J. Lingford, R. Epa, A. John, Y. Jin, E. Goddard-Borger*, G. Davies*, S. Williams*

ACS Catal. 2020, 10, 2826-2836.

An unexpected co-crystal structure of the calpain PEF(S) domain with Hfq reveals a potential chaperone function of Hfq.

J. Cresser-Brown, P. Rizkallah, Y. Jin, C. Roth, D.J. Miller, R.K. Allemann*

Acta Cryst. F 2020, 76, F76, 81–85

High-resolution Crystal Structure of Human Asparagine Synthetase Enables Analysis of Inhibitor Binding and Selectivity.

W. Zhu, A. Radadiya, C. Bisson, S. Wenzel, B.E. Nordin, F. Martínez-Márquez, T. Imasaki, S. Sedelnikova, A. Coricello, P. Baumann, A.H. Berry, T.K. Nomanbhoy, J. W. Kozarich, Y. Jin, D.W. Rice, Y. Takagi*, N.G.J Richards*

Comm. Biol. 2019, 2, 345.

Crystal Structure and Biophysical Analysis of Furfural Detoxifying Aldehyde Reductase from Clostridium beijerinkii.

A. Scott, J. Cresser-Brown, T. Williams, P. Rizkallah, Y. Jin, L.Y.P. Luk, R.K. Allemann*

Appl. Environ. Microbiol. 2019, 85, e00978-19.

Screenshot 2023-10-12 at 19.32_edited.pn

A GAP‐GTPase‐GDP‐Pi Intermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton Transfers.

R. W. Molt Jr., E. Pellegrini, Y. Jin*

Chem. Eur. J. 2019, 25, 8484–8488.

Label‐Free Visualization of Carbapenemase Activity in Living Bacteria.

Y. Zhang, J. Lei, Y. He*, J.H. Yang, W.J. Wang, A. Wasey, J.R. Xu*, Y. Lin, H.M. Fan, G.Y. Jing, C. Zhang, Y. Jin

Angew. Chem. Int. Ed. 2018, 57, 17120–17124.

Reactivity and Selectivity of Iminium Organocatalysis Improved by a Protein Host.

A. R. Nödling, K. Swiderek, R. Castillo, J. W. Hall, A. Angelastro, L.C. Morrill, Y. Jin, Y.H. Tsai, V. Moliner*, L.Y.P. Luk*

Angew. Chem. Int. Ed. 2018, 57, 12478-12482.

Thermokinetic Profile of NDM-1 and Its Inhibition by Small Carboxylic Acids.

Q. Wang, Y. He*, R. Lu, W.M. Wang, K.W. Yang*, H.M. Fan, Y. Jin, G.M. Blackburn

Biosci. Rep. 2018, DOI: 10.1042/BSR20180244.

Publications arising from Postdoctoral and PhD work:

Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases.

P. Abayakoon, Y. Jin, J.P. Lingford, M. Petricevic, A. John, E. Ryan, J.W.Y. Mui, D.E.V. Pires, D.B. Ascher, G.J. Davies*, E.D. Goddard-Borger*, S.J. Williams*

ACS Cent. Sci. 2018, 4, 1266–1273.

van der Waals Contact between Nucleophile and Transferring Phosphorus is Insufficient to Achieve Enzyme Transition State Architecture.

L.A. Johnson, A.J. Robertson, N.J. Baxter, C. Trevitt, C. Bisson, Y. Jin, H. Wood, A.M. Hounslow, M.J. Cliff, G.M. Blackburn, M.W. Bowler*, J.P. Waltho*

ACS Catal. 2018, 8, 8140-8153.

Discovery and characterization of a sulfoquinovose mutarotase using kinetic analysis at equilibrium by exchange spectroscopy.

P. Abayakoon, J.P. Lingford, Y. Jin, C. Bengt, G.J. Davies, S.G. Yao*, E.D. Goddard-Borger*, S.J. Williams*

Biochem. J. 2018, 475, 1371-1383.

Assessing the Influence of Mutation on GTPase Transition States Using X-ray, 19F NMR, and DFT Approaches.

Y. Jin, R.W. Molt Jr., E. Pellegrini, M.J. Cliff, M.W. Bowler*, N.G.J. Richards*, G.M. Blackburn*, J.P. Waltho*

Angew. Chem. Int. Ed. 2017, 56, 9732-9735.

Review: Metal Fluorides as Analogues for Studies on Phosphoryl Transfer Enzymes.

Y. Jin, N.G.J. Richards, G.M. Blackburn, J.P. Waltho

Angew. Chem. Int. Ed. 2017, 56, 4110-4228

Review: Metal Fluorides: Tools for Structural and Computational Analysis of Phosphoryl Transfer Enzymes.

Y. Jin, R.W. Molt, Jr., G.M. Blackburn

Topics Curr. Chem. 2017, 375, 36.

An Atypical Interaction Explains the High-affinity of a Non-hydrolyzable S-linked 1,6-Alpha-Mannanase Inhibitor.

T. Belz, Y. Jin, J. Coines, C. Rovira*, G.J. Davies*, S.J. Williams*

Chem. Comm. 2017, 53, 9238-9241.

Activity-based Probes for Functional Interrogation and Discovery of exo- and endo-Retaining Beta-glucuronidases.

L. Wu, J. Jiang, Y. Jin, W.W. Kallemeijn, C. Kuo, W. Dai, C. van Elk, M.C. van Eijk, G.A. van der Marel, J.D.C. Codée, B.I. Florea, J.M.F.G. Aerts, H.S. Overkleeft*, G.J. Davies*

Nat. Chem. Biol. 2017, 13, 867-873.

A β-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.

Y. Jin, M. Petricevic, A. John, L. Raich, H. Jenkins, L.P. De Souza, F. Cuskin, H.J. Gilbert, C. Rovira*, E.D. Goddard-Borger*, S.J. Williams*, G.J. Davies*

ACS Cent. Sci. 2016, 2, 896–903.