MR/T016035/1/MRC_/Medical Research Council/United Kingdom[Grants and Funding] - Search Results

Year	Number of Results
2020	2
2021	5
2022	5
2023	1
2025	0

1

Multiscale Simulations Identify Origins of Differential Carbapenem Hydrolysis by the OXA-48 β-Lactamase.

Hirvonen VHA, Weizmann TM, Mulholland AJ, Spencer J, van der Kamp MW. Hirvonen VHA, et al. ACS Catal. 2022 Apr 15;12(8):4534-4544. doi: 10.1021/acscatal.1c05694. Epub 2022 Apr 4. ACS Catal. 2022. PMID: 35571461 Free PMC article.

2

Tautomer-Specific Deacylation and Ω-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 β-Lactamase.

Tooke CL, Hinchliffe P, Beer M, Zinovjev K, Colenso CK, Schofield CJ, Mulholland AJ, Spencer J. Tooke CL, et al. J Am Chem Soc. 2023 Apr 5;145(13):7166-7180. doi: 10.1021/jacs.2c12123. Epub 2023 Mar 27. J Am Chem Soc. 2023. PMID: 36972204 Free PMC article.

3

Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.

Tooke CL, Hinchliffe P, Bonomo RA, Schofield CJ, Mulholland AJ, Spencer J. Tooke CL, et al. J Biol Chem. 2021 Jan-Jun;296:100126. doi: 10.1074/jbc.RA120.016461. Epub 2020 Dec 3. J Biol Chem. 2021. PMID: 33257320 Free PMC article.

4

Catalytic mechanism of the colistin resistance protein MCR-1.

Suardíaz R, Lythell E, Hinchliffe P, van der Kamp M, Spencer J, Fey N, Mulholland AJ. Suardíaz R, et al. Org Biomol Chem. 2021 May 5;19(17):3813-3819. doi: 10.1039/d0ob02566f. Org Biomol Chem. 2021. PMID: 33606866 Free PMC article.

5

QM/MM Simulations Reveal the Determinants of Carbapenemase Activity in Class A β-Lactamases.

Chudyk EI, Beer M, Limb MAL, Jones CA, Spencer J, van der Kamp MW, Mulholland AJ. Chudyk EI, et al. ACS Infect Dis. 2022 Aug 12;8(8):1521-1532. doi: 10.1021/acsinfecdis.2c00152. Epub 2022 Jul 25. ACS Infect Dis. 2022. PMID: 35877936 Free PMC article.

6

Faropenem reacts with serine and metallo-β-lactamases to give multiple products.

Lucic A, Hinchliffe P, Malla TR, Tooke CL, Brem J, Calvopiña K, Lohans CT, Rabe P, McDonough MA, Armistead T, Orville AM, Spencer J, Schofield CJ. Lucic A, et al. Eur J Med Chem. 2021 Apr 5;215:113257. doi: 10.1016/j.ejmech.2021.113257. Epub 2021 Feb 9. Eur J Med Chem. 2021. PMID: 33618159 Free PMC article.

7

Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease.

Deeks HM, Walters RK, Barnoud J, Glowacki DR, Mulholland AJ. Deeks HM, et al. J Chem Inf Model. 2020 Dec 28;60(12):5803-5814. doi: 10.1021/acs.jcim.0c01030. Epub 2020 Nov 11. J Chem Inf Model. 2020. PMID: 33174415

8

A multiscale approach to predict the binding mode of metallo beta-lactamase inhibitors.

Gervasoni S, Spencer J, Hinchliffe P, Pedretti A, Vairoletti F, Mahler G, Mulholland AJ. Gervasoni S, et al. Proteins. 2022 Feb;90(2):372-384. doi: 10.1002/prot.26227. Epub 2021 Sep 20. Proteins. 2022. PMID: 34455628 Free PMC article.

9

Studies on the Reactions of Biapenem with VIM Metallo β-Lactamases and the Serine β-Lactamase KPC-2.

Lucic A, Malla TR, Calvopiña K, Tooke CL, Brem J, McDonough MA, Spencer J, Schofield CJ. Lucic A, et al. Antibiotics (Basel). 2022 Mar 16;11(3):396. doi: 10.3390/antibiotics11030396. Antibiotics (Basel). 2022. PMID: 35326858 Free PMC article.

10

Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics.

Galdadas I, Qu S, Oliveira ASF, Olehnovics E, Mack AR, Mojica MF, Agarwal PK, Tooke CL, Gervasio FL, Spencer J, Bonomo RA, Mulholland AJ, Haider S. Galdadas I, et al. Elife. 2021 Mar 23;10:e66567. doi: 10.7554/eLife.66567. Elife. 2021. PMID: 33755013 Free PMC article.

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