Browse by UCL people
Group by: Type | Date
Number of items: 22.
2025
AlKharboush, DF;
Kozielski, F;
Wells, G;
Porta, EOJ;
(2025)
Fragment-based drug discovery: A graphical review.
Current Research in Pharmacology and Drug Discovery
, 9
, Article 100233. 10.1016/j.crphar.2025.100233.
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2024
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Ma, S;
Damfo, S;
Bowler, MW;
Mykhaylyk, V;
Kozielski, F;
(2024)
High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallographica Section D: Structural Biology
, 80
(Pt 6)
pp. 451-463.
10.1107/S2059798324004480.
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Sele, C;
Krupinska, E;
Andersson Rasmussen, A;
Ekström, S;
Hultgren, L;
Lou, J;
Kozielski, F;
... Knecht, W; + view all
(2024)
New insights into complex formation by SARS-CoV-2 nsp10 and nsp14.
Nucleosides, Nucleotides & Nucleic Acids
, 43
(8)
pp. 798-812.
10.1080/15257770.2024.2321600.
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2023
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Knecht, Wolfgang;
Fisher, S Zoë;
Lou, Jiaqi;
Sele, Céleste;
Ma, Shumeng;
Rasmussen, Anna Andersson;
Pinotsis, Nikos;
(2023)
Oligomeric State of β-Coronavirus Non-Structural Protein 10 Stimulators Studied by Small Angle X-ray Scattering.
International Journal of Molecular Sciences
, 24
(17)
, Article 13649. 10.3390/ijms241713649.
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Ma, Shumeng;
Mykhaylyk, Vitaliy;
Bowler, Matthew W;
Pinotsis, Nikos;
Kozielski, Frank;
(2023)
High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction—A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
International Journal of Molecular Sciences
, 24
(13)
, Article 11197. 10.3390/ijms241311197.
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Tang, Jiazhi;
Zhang, Cheng;
Castillo, Nuria Codina;
Lalaurie, Christophe J;
Gao, Xin;
Dalby, Paul A;
Kozielski, Frank;
(2023)
Crystal structures and molecular dynamics simulations of a humanised antibody fragment at acidic to basic pH.
Scientific Reports
, 13
, Article 16281. 10.1038/s41598-023-42698-7.
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Wagstaff, JM;
Planelles-Herrero, VJ;
Sharov, G;
Alnami, A;
Kozielski, F;
Derivery, E;
Löwe, J;
(2023)
Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Science Advances
, 9
(13)
, Article eadf3021. 10.1126/sciadv.adf3021.
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Wang, H;
Rizvi, SRA;
Dong, D;
Lou, J;
Wang, Q;
Sopipong, W;
Su, Y;
... Haider, S; + view all
(2023)
Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16.
eLife
, 12
10.7554/eLife.87884.1.
(In press).
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2022
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Ma, Shumeng;
Damfo, Shymaa;
Lou, Jiaqi;
Pinotsis, Nikos;
Bowler, Matthew W;
Haider, Shozeb;
Kozielski, Frank;
(2022)
Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
International Journal of Molecular Sciences
, 23
(20)
p. 12448.
10.3390/ijms232012448.
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2021
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Alnami, A;
Norton, RS;
Perez Pena, H;
Haider, S;
Kozielski, F;
(2021)
Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
Journal of Molecular Biology
, 433
(15)
, Article 167061. 10.1016/j.jmb.2021.167061.
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Kozielski, F;
Sele, C;
Talibov, VO;
Lou, J;
Dong, D;
Wang, Q;
Shi, X;
... Knecht, W; + view all
(2021)
Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
RSC Chemical Biology
10.1039/d1cb00135c.
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Zhang, C;
Codina, N;
Tang, J;
Yu, H;
Chakroun, N;
Kozielski, F;
Dalby, PA;
(2021)
Comparison of the pH- and thermally-induced fluctuations of a therapeutic antibody Fab fragment by molecular dynamics simulation.
Computational and Structural Biotechnology Journal
, 19
pp. 2726-2741.
10.1016/j.csbj.2021.05.005.
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2020
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Rogstam, A;
Nyblom, M;
Christensen, S;
Sele, C;
Talibov, VO;
Lindvall, T;
Rasmussen, AA;
... Kozielski, F; + view all
(2020)
Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
International Journal of Molecular Sciences
, 21
(19)
, Article 7375. 10.3390/ijms21197375.
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2019
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Hilton, ST;
Kozielski, F;
Penny, M;
Talapatra, S;
(2019)
Design, 3D printing and validation of a novel low-cost high-capacity sitting-drop bridge for protein crystallization.
Journal of Applied Crystallography
, 52
pp. 171-174.
10.1107/S1600576718017545.
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Indorato, R-L;
Talapatra, SK;
Lin, F;
Haider, S;
Mackay, SP;
Kozielski, F;
Skoufias, DA;
(2019)
Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5–Inhibitor Complexes.
Molecular Cancer Therapeutics
, 18
(12)
pp. 2394-2406.
10.1158/1535-7163.MCT-19-0154.
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Riccio, F;
Talapatra, SK;
Oxenford, S;
Angell, R;
Mazzon, M;
Kozielski, F;
(2019)
Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases.
Biology Open
, 8
, Article bio037663. 10.1242/bio.037663.
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2018
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Balakumar, C;
Ramesh, M;
Tham, CL;
Khathi, SP;
Kozielski, F;
Srinivasulu, C;
Hampannavar, GA;
... Karpoormath, R; + view all
(2018)
Ligand- and structure-based in silico studies to identify kinesin spindle protein (KSP) inhibitors as potential anticancer agents.
Journal of Biomolecular Structure and Dynamics
, 36
(14)
pp. 3687-3704.
10.1080/07391102.2017.1396255.
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Georgakopoulos, N;
Talapatra, S;
Gatliff, J;
Kozielski, F;
Wells, G;
(2018)
Modified peptide inhibitors of the Keap1-Nrf2 protein-protein interaction incorporating unnatural amino acids.
ChemBioChem
10.1002/cbic.201800170.
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Khathi, SP;
Chandrasekaran, B;
Karunanidhi, S;
Tham, CL;
Kozielski, F;
Sayyad, N;
Karpoormath, R;
(2018)
Design and synthesis of novel thiadiazole-thiazolone hybrids as potential inhibitors of the human mitotic kinesin Eg5.
Bioorganic and Medicinal Chemistry Letters
, 28
(17)
pp. 2930-2938.
10.1016/j.bmcl.2018.07.007.
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Talapatra, SK;
Tham, CL;
Guglielmi, P;
Cirilli, R;
Chandrasekaran, B;
Karpoormath, R;
Carradori, S;
(2018)
Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors.
European Journal of Medicinal Chemistry
, 156
pp. 641-651.
10.1016/j.ejmech.2018.07.006.
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2017
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Chatrin, C;
Talapatra, SK;
Canard, B;
Kozielski, F;
(2017)
The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping.
Oncotarget
, 9
(3)
pp. 3160-3171.
10.18632/oncotarget.23223.
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2016
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Talapatra, SK;
Rath, O;
Clayton, E;
Tomasi, S;
Kozielski, F;
(2016)
Depsidones from Lichens as Natural Product Inhibitors of M-Phase Phosphoprotein 1, a Human Kinesin Required for Cytokinesis.
Journal of Natural Products
, 79
(6)
pp. 1576-1585.
10.1021/acs.jnatprod.5b00962.
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