Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I04-1 Contact
Beamline Phone Number:
+44 (0) 1235 778979
Principal Beamline Scientist:
Frank von Delft
Tel: +44 (0) 1235 778997
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I04-1 Fixed wavelength MX
Status: Operational
Beamsize: 60 x 50
Detector: Eiger2 XE 9M
Wavelength: 0.92Å (fixed)
Energy: 13.445 keV
Detector: Eiger2 XE 9M
Wavelength: 0.92Å (fixed)
Energy: 13.445 keV
These publications are based on data gathered on beamline I04-1. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
99 items found for 2021 [total: 1244]
Discovery of novel BRD4 ligand scaffolds by automated navigation of the fragment chemical space Journal Of Medicinal Chemistry, Dec 2021 DOI: 10.1021/acs.jmedchem.1c01108
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket – targeting P-pocket by fragment screening Nature Communications, 12 Dec 2021 DOI: 10.1038/s41467-021-27409-y
Novel quaternary structures of the human prion protein globular domain Biochimie, 191 Dec 2021 DOI: 10.1016/j.biochi.2021.09.005
Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors Nature Chemistry, 59 Dec 2021 DOI: 10.1038/s41557-021-00831-x
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Human enzyme identified as potential key to treating lung and bladder cancer – increasing survival times Dec 2021
Science Highlight I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Novel device and strategy for growing large, high-quality protein crystals by controlling crystallization conditions Crystals, 11 Nov 2021 DOI: 10.3390/cryst11111311
From fragment to lead: de novo design and development toward a selective FGFR2 inhibitor Journal Of Medicinal Chemistry, 46 Nov 2021 DOI: 10.1021/acs.jmedchem.1c01163
Structure, function and regulation of a second pyruvate kinase isozyme in Pseudomonas aeruginosa Frontiers In Microbiology, 12 Nov 2021 DOI: 10.3389/fmicb.2021.790742
MLL1 is regulated by KSHV LANA and is important for virus latency Nucleic Acids Research, Nov 2021 DOI: 10.1093/nar/gkab1094
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Three‐dimensional structure of xylonolactonase from Caulobacter crescentus: a mononuclear iron enzyme of the 6‐bladed β‐propeller hydrolase family Protein Science, Nov 2021 DOI: 10.1002/pro.4229
Investigating molecular mechanisms of 2A-stimulated ribosomal pausing and frameshifting in Theilovirus Nucleic Acids Research, 49 Nov 2021 DOI: 10.1093/nar/gkab969
Into deep water: optimizing BCL6 inhibitors by growing into a solvated pocket Journal Of Medicinal Chemistry, Nov 2021 DOI: 10.1021/acs.jmedchem.1c00946
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance Organic & Biomolecular Chemistry, 19 Nov 2021 DOI: 10.1039/D1OB01802G
Kinetic and structural characterization of sialidases (Kdnases) from ascomycete fungal pathogens Acs Chemical Biology, 16 Nov 2021 DOI: 10.1021/acschembio.1c00666
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif Plos One, 16 Oct 2021 DOI: 10.1371/journal.pone.0256070
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Inverting the stereoselectivity of an NADH‐dependent imine‐reductase variant Chemcatchem, Oct 2021 DOI: 10.1002/cctc.202101057
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
A single sulfatase is required to access colonic mucin by a gut bacterium Nature, 105 Oct 2021 DOI: 10.1038/s41586-021-03967-5
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Defining substrate selection by rhinoviral 2A proteinase through its crystal structure with the inhibitor zVAM.fmk Virology, 562 Oct 2021 DOI: 10.1016/j.virol.2021.07.008
GenoChemetic strategy for derivatization of the violacein natural product scaffold Acs Chemical Biology, 25 Oct 2021 DOI: 10.1021/acschembio.1c00483
Location dependent lanthanide selectivity engineered into structurally characterized designed coiled coils Angewandte Chemie International Edition, Sept 2021 DOI: 10.1002/anie.202110500
Crystallographic approach to fragment-based hit discovery against Schistosoma mansoni purine nucleoside phosphorylase Biochemical Journal, Sept 2021 DOI: 10.1042/BCJ20210041
Copper nitrite reductase from Sinorhizobium meliloti 2011: crystal structure and interaction with the physiological vs. a non‐metabolically‐related cupredoxin‐like mediator Protein Science, Sept 2021 DOI: 10.1002/pro.4195
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
One-step synthesis of photoaffinity probes for live-cell MS-based proteomics Chemistry – A European Journal, 71 Sept 2021 DOI: 10.1002/chem.202102036
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis β-oxidation trifunctional enzyme Journal Of Structural Biology, 213 Sept 2021 DOI: 10.1016/j.jsb.2021.107776
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1–DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs Journal Of Medicinal Chemistry, Sept 2021 DOI: 10.1021/acs.jmedchem.1c01012
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production Nature Communications, 12 Sept 2021 DOI: 10.1038/s41467-021-25598-0
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Development of a selective dual discoidin domain receptor (DDR)/p38 kinase chemical probe Journal Of Medicinal Chemistry, 64 Sept 2021 DOI: 10.1021/acs.jmedchem.1c00868
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Making molecular movies drop by drop Sept 2021
Science Highlight I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
The X-ray structure of L -threonine dehydrogenase from the common hospital pathogen Clostridium difficile Acta Crystallographica Section F Structural Biology Communications, 77 Aug 2021 DOI: 10.1107/S2053230X21007135
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis Science Advances, 7 Aug 2021 DOI: 10.1126/sciadv.abh0250
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The structural basis for high‐affinity uptake of lignin‐derived aromatic compounds by proteobacterial TRAP transporters The Febs Journal, Aug 2021 DOI: 10.1111/febs.16156
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Titin kinase ubiquitination aligns autophagy receptors with mechanical signals in the sarcomere Embo Reports, Aug 2021 DOI: 10.15252/embr.201948018
SAMM50 acts with p62 in piecemeal basal- and OXPHOS-induced mitophagy of SAM and MICOS components Journal Of Cell Biology, 220 Aug 2021 DOI: 10.1083/jcb.202009092
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites Acta Crystallographica Section F Structural Biology Communications, 77 Aug 2021 DOI: 10.1107/S2053230X21007378
Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase Nature Communications, 12 Aug 2021 DOI: 10.1038/s41467-021-25166-6
2-mercaptomethyl thiazolidines (MMTZs) inhibit all metallo-β-lactamase classes by maintaining a conserved binding mode Acs Infectious Diseases, Aug 2021 DOI: 10.1021/acsinfecdis.1c00194
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
UbiD domain dynamics underpins aromatic decarboxylation Nature Communications, 12 Aug 2021 DOI: 10.1038/s41467-021-25278-z
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Molecular basis for DarT ADP-ribosylation of a DNA base Nature, 58 Aug 2021 DOI: 10.1038/s41586-021-03825-4
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Ixodes ricinus salivary serpin iripin-8 inhibits the intrinsic pathway of coagulation and complement International Journal Of Molecular Sciences, 22 Aug 2021 DOI: 10.3390/ijms22179480
A CTP-dependent gating mechanism enables ParB spreading on DNA Elife, 10 Aug 2021 DOI: 10.7554/eLife.69676
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Discovery of a potent dual SLK/STK10 inhibitor based on a maleimide scaffold Journal Of Medicinal Chemistry, Aug 2021 DOI: 10.1021/acs.jmedchem.0c01579
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
X-ray molecular structure characterization of a hexamethylenetetramine zinc(II) porphyrin complex, catalytic degradation of toluidine blue dye, experimental and statistical studies of adsorption isotherms Journal Of Molecular Liquids, 24 Aug 2021 DOI: 10.1016/j.molliq.2021.117394
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD Nature Communications, 12 Aug 2021 DOI: 10.1038/s41467-021-25076-7
X-ray crystallographic fragment screening against the human prion protein Aug 2021 DOI: 10.11606/T.60.2021.tde-27092021-150052
Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site Nucleic Acids Research, 4 Jul 2021 DOI: 10.1093/nar/gkab615
Crystal structure of an anti-TB drug target Jul 2021
Diamond Annual Review Highlight I04-1-Macromolecular Crystallography (fixed wavelength)
CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc Molecular Cell, 34 Jul 2021 DOI: 10.1016/j.molcel.2021.06.025
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer Science Translational Medicine, 13 Jul 2021 DOI: 10.1126/scitranslmed.aba4627
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
High-throughput crystallography reveals boron-containing inhibitors of a penicillin-binding protein with di- and tricovalent binding modes Journal Of Medicinal Chemistry, 64 Jul 2021 DOI: 10.1021/acs.jmedchem.1c00717
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Towards defining mechanisms involved in β-lactam resistance using serial crystallography Jul 2021
Thesis I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Phosphorylation of the LIR domain of SCOC modulates ATG8 binding affinity and specificity Journal Of Molecular Biology, 433 June 2021 DOI: 10.1016/j.jmb.2021.166987
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Reviving lost binding sites: Exploring calcium binding‐site transitions between human and murine CD23 Febs Open Bio, June 2021 DOI: 10.1002/2211-5463.13214
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Computational And Structural Biotechnology Journal, 19 June 2021 DOI: 10.1016/j.csbj.2021.06.006
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor Cell Chemical Biology, 63 June 2021 DOI: 10.1016/j.chembiol.2021.05.018
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19 Scientific Reports, 11 June 2021 DOI: 10.1038/s41598-021-92416-4
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Conformational plasticity of the ULK3 kinase domain Biochemical Journal, June 2021 DOI: 10.1042/BCJ20210257
A crystallographic snapshot of SARS-CoV-2 main protease maturation process Journal Of Molecular Biology, June 2021 DOI: 10.1016/j.jmb.2021.167118
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
RAS-inhibiting biologics identify and probe druggable pockets including an SII-α3 allosteric site Nature Communications, 12 June 2021 DOI: 10.1038/s41467-021-24316-0
The structural and biochemical characterization of UNC119B cargo binding and release mechanisms Biochemistry, 41 June 2021 DOI: 10.1021/acs.biochem.1c00251
Discovery, characterization and engineering of ligases for amide synthesis Nature, 593 May 2021 DOI: 10.1038/s41586-021-03447-w
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structure-guided discovery of potent and selective DYRK1A inhibitors Journal Of Medicinal Chemistry, May 2021 DOI: 10.1021/acs.jmedchem.1c00023
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Schistosomiasis drug discovery in the era of automation and artificial intelligence Frontiers In Immunology, 12 May 2021 DOI: 10.3389/fimmu.2021.642383
Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules Nucleic Acids Research, 45 May 2021 DOI: 10.1093/nar/gkab333
Exploring protein hotspots by optimized fragment pharmacophores Nature Communications, 12 May 2021 DOI: 10.1038/s41467-021-23443-y
Two β-lactamase variants with reduced clavulanic acid inhibition display different millisecond dynamics Antimicrobial Agents And Chemotherapy, May 2021 DOI: 10.1128/AAC.02628-20
Comprehensive analysis of binding sites in tubulin Angewandte Chemie International Edition, May 2021 DOI: 10.1002/anie.202100273
Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase Bioorganic & Medicinal Chemistry Letters, 39 May 2021 DOI: 10.1016/j.bmcl.2021.127904
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking Science Advances, 7 Apr 2021 DOI: 10.1126/sciadv.abf8711
Coiled coils 9-to-5: Rational de novo design of alpha-helical barrels with tunable oligomeric states Chemical Science, Apr 2021 DOI: 10.1039/D1SC00460C
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
How coiled-coil assemblies accommodate multiple aromatic residues Biomacromolecules, 2 Apr 2021 DOI: 10.1021/acs.biomac.1c00131
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
The dominantly expressed class II molecule from a resistant MHC haplotype presents only a few Marek’s disease virus peptides by using an unprecedented binding motif Plos Biology, 19 Apr 2021 DOI: 10.1371/journal.pbio.3001057
Small molecule inhibition of METTL3 as a strategy against myeloid leukaemia Nature, Apr 2021 DOI: 10.1038/s41586-021-03536-w
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Discovery of fungal surface NADases predominantly present in pathogenic species Nature Communications, 12 Mar 2021 DOI: 10.1038/s41467-021-21307-z
Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis Nature Communications, 12 Mar 2021 DOI: 10.1038/s41467-021-21924-8
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Stalling chromophore synthesis of the fluorescent protein Venus reveals the molecular basis of the final oxidation step Chemical Science, 67 Mar 2021 DOI: 10.1039/D0SC06693A
Characterisation of a tripartite α-pore forming toxin from Serratia marcescens Scientific Reports, 11 Mar 2021 DOI: 10.1038/s41598-021-85726-0
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva Jci Insight, 6 Mar 2021 DOI: 10.1172/jci.insight.95042
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Generating selective leads for Mer kinase inhibitors - example of a comprehensive lead-generation strategy Journal Of Medicinal Chemistry, Mar 2021 DOI: 10.1021/acs.jmedchem.0c01904
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Carbamate and n-pyrimidine mitigate amide hydrolysis: Structure-based drug design of tetrahydroquinoline IDO1 inhibitors Acs Medicinal Chemistry Letters, 12 Mar 2021 DOI: 10.1021/acsmedchemlett.0c00525
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Discriminative SKP2 interactions with CDK-cyclin complexes support a cyclin a-specific role in p27KIP1 degradation Journal Of Molecular Biology, 433 Mar 2021 DOI: 10.1016/j.jmb.2020.166795
Journal Paper B21-High Throughput SAXS I04-1-Macromolecular Crystallography (fixed wavelength) open access
Fragment screening reveals starting points for rational design of galactokinase 1 inhibitors to treat classic galactosemia Acs Chemical Biology, 152 Mar 2021 DOI: 10.1021/acschembio.0c00498
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure-based modeling and dynamics of MurM, a Streptococcus pneumoniae penicillin resistance determinant present at the cytoplasmic membrane Structure, 1 Mar 2021 DOI: 10.1016/j.str.2021.03.001
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators Journal Of Biological Chemistry, 29 Mar 2021 DOI: 10.1016/j.jbc.2021.100551
Orientational ambiguity in septin coiled coils and its structural basis Journal Of Molecular Biology, 254 Feb 2021 DOI: 10.1016/j.jmb.2021.166889
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Faropenem reacts with serine and metallo-β-lactamases to give multiple products European Journal Of Medicinal Chemistry, 6 Feb 2021 DOI: 10.1016/j.ejmech.2021.113257
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structural comparison of GLUT1 to GLUT3 reveal transport regulation mechanism in sugar porter family Life Science Alliance, 4 Feb 2021 DOI: 10.26508/lsa.202000858
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A rotary mechanism for allostery in bacterial hybrid malic enzymes Nature Communications, 12 Feb 2021 DOI: 10.1038/s41467-021-21528-2
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural characterisation of the regulation of the catalytic subunit of the COP9 signalosome: Identification of new opportunities for drug discovery Feb 2021
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Engineering cyanobacteria and the key enzyme CrtE for terpenoid production Feb 2021 DOI: 10.25560/87638
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Substrate anchoring and flexibility reduction in CYP153AM.aq leads to highly improved efficiency toward octanoic acid Acs Catalysis, Feb 2021 DOI: 10.1021/acscatal.0c05193
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Notum deacylates octanoylated ghrelin Molecular Metabolism, Feb 2021 DOI: 10.1016/j.molmet.2021.101201
Molecular basis of sulfosugar selectivity in sulfoglycolysis Acs Central Science, 20 Feb 2021 DOI: 10.1021/acscentsci.0c01285
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Unexpected diversity of ferredoxin-dependent thioredoxin reductases in cyanobacteria Plant Physiology, Feb 2021 DOI: 10.1093/plphys/kiab072
Journal Paper B21-High Throughput SAXS I04-1-Macromolecular Crystallography (fixed wavelength) open access
Insights into SusCD-mediated glycan import by a prominent gut symbiont Nature Communications, 12 Jan 2021 DOI: 10.1038/s41467-020-20285-y
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
A molecular mechanism for LINC complex branching by structurally diverse SUN-KASH 6:6 assemblies Elife, 10 Jan 2021 DOI: 10.7554/eLife.60175
Journal Paper B21-High Throughput SAXS I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Identification of a catalytic active but non-aggregating MDM2 RING domain variant Journal Of Molecular Biology, Jan 2021 DOI: 10.1016/j.jmb.2021.166807
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Analysis of insulin glulisine at the molecular level by X-ray crystallography and biophysical techniques Scientific Reports, 11 Jan 2021 DOI: 10.1038/s41598-021-81251-2
Structure-function studies of the C3/C5 epimerases and C4 reductases of the Campylobacter jejuni capsular heptose modification pathways Journal Of Biological Chemistry, 48 Jan 2021 DOI: 10.1016/j.jbc.2021.100352
- Serena G. Piticchio, Miriam Martinez-Cartro, Salvatore Scaffidi, Moira Rachman, Sergio Rodriguez-Arevalo, Ainoa Sanchez-Arfelis, Carmen Escolano, Sarah Picaud, Tobias Krojer, Panagis Filippakopoulos, Frank Von Delft, Carles Galdeano, Xavier Barril, "Discovery of novel BRD4 ligand scaffolds by automated navigation of the fragment chemical space", Journal Of Medicinal Chemistry (2021), DOI: 10.1021/acs.jmedchem.1c01108
- Abhimanyu Singh, Sergio E. Martinez, Weijie Gu, Hoai Nguyen, Dominique Schols, Piet Herdewijn, Steven De Jonghe, Kalyan Das, "Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket – targeting P-pocket by fragment screening", Nature Communications, 12 (2021), DOI: 10.1038/s41467-021-27409-y
- Leandro Oliveira Bortot, Victor Lopes Rangel, Francesca A. Pavlovici, Kamel El Omari, Armin Wagner, Jose Brandao-Neto, Romain Talon, Frank Von Delft, Andrew G. Reidenbach, Sonia M. Vallabh, Eric Vallabh Minikel, Stuart Schreiber, Maria Cristina Nonato, "Novel quaternary structures of the human prion protein globular domain", Biochimie, 191, 118 - 125 (2021), DOI: 10.1016/j.biochi.2021.09.005
- Jurgen Brem, Tharindi Panduwawala, Jon Ulf Hansen, Joanne Hewitt, Edgars Liepins, Pawel Donets, Laura Espina, Alistair J. M. Farley, Kirill Shubin, Gonzalo Gomez Campillos, Paula Kiuru, Shifali Shishodia, Daniel Krahn, Robert K. Leśniak, Juliane Schmidt, Karina Calvopina, María-Carmen Turrientes, Madeline E. Kavanagh, Dmitrijs Lubriks, Philip Hinchliffe, Gareth W. Langley, Ali F. Aboklaish, Anders Eneroth, Maria Backlund, Andrei G. Baran, Elisabet I. Nielsen, Michael Speake, Janis Kuka, John Robinson, Solveiga Grinberga, Lindsay Robinson, Michael A. Mcdonough, Anna M. Rydzik, Thomas M. Leissing, Juan Carlos Jimenez-Castellanos, Matthew B. Avison, Solange Da Silva Pinto, Andrew D. Pannifer, Marina Martjuga, Emma Widlake, Martins Priede, Iva Hopkins Navratilova, Marek Gniadkowski, Anna Karin Belfrage, Peter Brandt, Jari Yli-Kauhaluoma, Eric Bacque, Malcolm G. P. Page, Fredrik Björkling, Jonathan M. Tyrrell, James Spencer, Pauline A. Lang, Pawel Baranczewski, Rafael Cantón, Stuart P. Mcelroy, Philip S. Jones, Fernando Baquero, Edgars Suna, Angus Morrison, Timothy R. Walsh, Christopher J. Schofield, "Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors", Nature Chemistry, 59 (2021), DOI: 10.1038/s41557-021-00831-x
- [Science Highlight] Diamond Light Source, "Human enzyme identified as potential key to treating lung and bladder cancer – increasing survival times" (2021)
- Naoki Tanigawa, Sachiko Takahashi, Bin Yan, Masayuki Kamo, Naoki Furubayashi, Koji Kubota, Koji Inaka, Hiroaki Tanaka, "Novel device and strategy for growing large, high-quality protein crystals by controlling crystallization conditions", Crystals, 11 (2021), DOI: 10.3390/cryst11111311
- Lewis D. Turner, Chi H. Trinh, Ryan A. Hubball, Kyle M. Orritt, Chi-Chuan Lin, Julie E. Burns, Margaret A. Knowles, Colin W. G. Fishwick, "From fragment to lead: de novo design and development toward a selective FGFR2 inhibitor", Journal Of Medicinal Chemistry, 46 (2021), DOI: 10.1021/acs.jmedchem.1c01163
- Yassmin Abdelhamid, Meng Wang, Susannah L. Parkhill, Paul Brear, Xavier Chee, Taufiq Rahman, Martin Welch, "Structure, function and regulation of a second pyruvate kinase isozyme in Pseudomonas aeruginosa", Frontiers In Microbiology, 12 (2021), DOI: 10.3389/fmicb.2021.790742
- Min Tan, Shijun Li, Franceline Juillard, Rute Chitas, Tania F. Custodio, Han Xu, Agnieszka Szymula, Qiming Sun, Bing Liu, Ángel L Álvarez, She Chen, Jing Huang, J. pedro Simas, Colin E. Mcvey, Kenneth m Kaye, "MLL1 is regulated by KSHV LANA and is important for virus latency", Nucleic Acids Research (2021), DOI: 10.1093/nar/gkab1094
- Johan Pääkkönen, Nina Hakulinen, Martina Andberg, Anu Koivula, Juha Rouvinen, "Three‐dimensional structure of xylonolactonase from Caulobacter crescentus: a mononuclear iron enzyme of the 6‐bladed β‐propeller hydrolase family", Protein Science (2021), DOI: 10.1002/pro.4229
- Chris H. Hill, Georgia M. Cook, Sawsan Napthine, Anuja Kibe, Katherine Brown, Neva Caliskan, Andrew E. Firth, Stephen C. Graham, Ian Brierley, "Investigating molecular mechanisms of 2A-stimulated ribosomal pausing and frameshifting in Theilovirus", Nucleic Acids Research, 49, 11938 - 11958 (2021), DOI: 10.1093/nar/gkab969
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