Evidence map›Paper›PMID 33811162›Full record

ArticleScience (New York, N.Y.)2021

X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.

Sebastian Günther, Patrick Y A Reinke, Yaiza Fernández-García, Julia Lieske, Thomas J Lane, Helen M Ginn, Faisal H M Koua, Christiane Ehrt, Wiebke Ewert, Dominik Oberthuer and 92 more

Open access · hybridAbstract read
In one paragraph

Article in Science (New York, N.Y.), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 189 papers.

0numbers the graph read from it
0cells of the map it votes in
189citing papers in PubMed
46.3field-weighted citation impact, top 1% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

189 citing papers in PubMed, 358 citations in OpenAlex.

  1. Insights into the complexity of SARS-CoV-2 MJournal of enzyme inhibition and medicinal chemistry · 2026
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  3. Identification of potential SARS-CoV-2 MJournal of computer-aided molecular design · 2026
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  15. MarinePharmaceuticals (Basel, Switzerland) · 2026
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129 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

102 authors at 15 institutions in 5 countries.

Sebastian Günther *Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany. sebastian.guenther@desy.de alke.meents@desy.de.ORCID 0000-0002-7329-6653
Patrick Y A Reinke *Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-7354-0839
Yaiza Fernández-GarcíaBernhard Nocht Institute for Tropical Medicine, Bernhard-Nocht-Str. 74, 20359 Hamburg, Germany.ORCID 0000-0002-9592-2141
Julia LieskeCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-5439-5082
Thomas J LaneCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0003-2627-4432
Helen M GinnDiamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK.ORCID 0000-0002-7894-4939
Faisal H M KouaCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-8371-9587
Christiane EhrtUniversität Hamburg, Center for Bioinformatics, Bundesstr. 43, 20146 Hamburg, Germany.ORCID 0000-0003-1428-0042
Wiebke EwertCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-8626-4864
Dominik OberthuerCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-0894-9590
Oleksandr YefanovCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Susanne MeierHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.
Kristina LorenzenEuropean XFEL GmbH, Holzkoppel 4, 22869 Schenefeld, Germany.ORCID 0000-0002-6511-4805
Boris KrichelHeinrich Pette Institute, Leibniz Institute for Experimental Virology, Martinistr. 52, 20251 Hamburg, Germany.ORCID 0000-0001-9667-0719
Janine-Denise KopickiHeinrich Pette Institute, Leibniz Institute for Experimental Virology, Martinistr. 52, 20251 Hamburg, Germany.ORCID 0000-0001-9806-5352
Luca GelisioCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-7832-6201
Wolfgang BrehmCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-4751-1196
Ilona DunkelMax Planck Institute for Molecular Genetics, Ihnestr. 63-73, 14195 Berlin, Germany.
Brandon SeychellUniversität Hamburg, Department of Chemistry, Institute of Physical Chemistry, Grindelallee 117, 20146 Hamburg, Germany.
Henry GieselerHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.
Brenna Norton-BakerMax Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0002-5346-5413
Beatriz Escudero-PérezBernhard Nocht Institute for Tropical Medicine, Bernhard-Nocht-Str. 74, 20359 Hamburg, Germany.
Martin DomarackyCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Sofiane SaouaneDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607, Hamburg, Germany.ORCID 0000-0002-7260-9021
Alexandra TolstikovaCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0003-0653-2123
Thomas A WhiteCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-8407-0270
Anna HänleCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Michael GroesslerCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Holger FleckensteinCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-7216-6494
Fabian TrostCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-5628-598X
Marina GalchenkovaCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Yaroslav GevorkovCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-9273-7648
Chufeng LiCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-2997-0903
Salah AwelCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-9470-5911
Ariana PeckDivision of Biology and Biological Engineering, California Institute of Technology, Pasadena, CA 91125, USA.ORCID 0000-0002-5940-3897
Miriam BarthelmessCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Frank SchlünzenCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0003-2849-0542
P Lourdu XavierCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-5132-2999
Nadine WernerUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.ORCID 0000-0001-8786-6437
Hina AndaleebUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.ORCID 0000-0002-1084-9652
Najeeb UllahUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.ORCID 0000-0003-0900-5927
Sven FalkeUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.ORCID 0000-0003-3409-1791
Vasundara SrinivasanUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.ORCID 0000-0002-8895-5885
Bruno Alves FrançaUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.
Martin SchwinzerUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.
Hévila BrognaroUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.
Cromarte RogersHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.
Diogo MeloHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.
Joanna Irina Zaitseva-KinnebergHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0003-3874-1712
Juraj KnoskaCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-7258-6256
Gisel E Peña-MurilloCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-7842-4987
Aida Rahmani MashhourCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Vincent HennickeCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-2997-2722
Pontus FischerCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-5543-6018
Johanna HakanpääDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607, Hamburg, Germany.
Jan MeyerDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607, Hamburg, Germany.
Philip GribbonFraunhofer Institute for Translational Medicine and Pharmacology and Fraunhofer Cluster of Excellence for Immune Mediated Diseases, Schnackenburgallee 114, 22525 Hamburg, Germany.
Bernhard EllingerFraunhofer Institute for Translational Medicine and Pharmacology and Fraunhofer Cluster of Excellence for Immune Mediated Diseases, Schnackenburgallee 114, 22525 Hamburg, Germany.ORCID 0000-0001-5703-3901
Maria KuzikovFraunhofer Institute for Translational Medicine and Pharmacology and Fraunhofer Cluster of Excellence for Immune Mediated Diseases, Schnackenburgallee 114, 22525 Hamburg, Germany.ORCID 0000-0001-8771-1865
Markus WolfFraunhofer Institute for Translational Medicine and Pharmacology and Fraunhofer Cluster of Excellence for Immune Mediated Diseases, Schnackenburgallee 114, 22525 Hamburg, Germany.
Andrea R BeccariDompé Farmaceutici SpA, 67100 L'Aquila, Italy.ORCID 0000-0001-6830-2695
Gleb BourenkovEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.
David von StettenEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-7906-9788
Guillaume PompidorEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.
Isabel BentoEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.
Saravanan PanneerselvamEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.
Ivars KarpicsEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.
Thomas R SchneiderEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-6955-7374
Maria Marta Garcia-AlaiEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.
Stephan NieblingEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-6582-5984
Christian GüntherEMBL Outstation Hamburg, c/o DESY, Notkestr. 85, 22607 Hamburg, Germany.
Christina SchmidtEuropean XFEL GmbH, Holzkoppel 4, 22869 Schenefeld, Germany.ORCID 0000-0002-6662-1294
Robin SchubertEuropean XFEL GmbH, Holzkoppel 4, 22869 Schenefeld, Germany.ORCID 0000-0002-6213-2872
Huijong HanEuropean XFEL GmbH, Holzkoppel 4, 22869 Schenefeld, Germany.ORCID 0000-0002-1197-3014
Juliane BogerInstitute of Molecular Medicine, University of Lübeck, 23562 Lübeck, Germany.
Diana C F MonteiroHauptmann Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203, USA.ORCID 0000-0002-6318-7306
Linlin ZhangInstitute of Molecular Medicine, University of Lübeck, 23562 Lübeck, Germany.ORCID 0000-0002-4642-9617
Xinyuanyuan SunInstitute of Molecular Medicine, University of Lübeck, 23562 Lübeck, Germany.ORCID 0000-0002-2761-2862
Jonathan Pletzer-ZelgertUniversität Hamburg, Center for Bioinformatics, Bundesstr. 43, 20146 Hamburg, Germany.
Jan WollenhauptHelmholtz Zentrum Berlin, Macromolecular Crystallography, Albert-Einstein-Str. 15, 12489 Berlin, Germany.ORCID 0000-0002-3418-5213
Christian G FeilerHelmholtz Zentrum Berlin, Macromolecular Crystallography, Albert-Einstein-Str. 15, 12489 Berlin, Germany.ORCID 0000-0002-9214-5770
Manfred S WeissHelmholtz Zentrum Berlin, Macromolecular Crystallography, Albert-Einstein-Str. 15, 12489 Berlin, Germany.ORCID 0000-0002-2362-7047
Eike-Christian SchulzMax Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0002-1685-8605
Pedram MehrabiMax Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0003-3211-6959
Katarina KarničarDepartment of Biochemistry and Molecular and Structural Biology, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia.ORCID 0000-0002-7033-9224
Aleksandra UsenikDepartment of Biochemistry and Molecular and Structural Biology, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia.ORCID 0000-0003-2366-2886
Jure LobodaDepartment of Biochemistry and Molecular and Structural Biology, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia.
Henning TidowHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0002-4702-9332
Ashwin ChariResearch Group for Structural Biochemistry and Mechanisms, Department of Structural Dynamics, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany.ORCID 0000-0001-6220-9828
Rolf HilgenfeldInstitute of Molecular Medicine, University of Lübeck, 23562 Lübeck, Germany.ORCID 0000-0001-8850-2977
Charlotte UetrechtHeinrich Pette Institute, Leibniz Institute for Experimental Virology, Martinistr. 52, 20251 Hamburg, Germany.ORCID 0000-0002-1991-7922
Russell CoxInstitute for Organic Chemistry and BMWZ, Leibniz University of Hannover, Schneiderberg 38, 30167 Hannover, Germany.ORCID 0000-0002-1844-0157
Andrea ZalianiFraunhofer Institute for Translational Medicine and Pharmacology and Fraunhofer Cluster of Excellence for Immune Mediated Diseases, Schnackenburgallee 114, 22525 Hamburg, Germany.ORCID 0000-0002-1740-8390
Tobias BeckHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0001-7398-3982
Matthias RareyUniversität Hamburg, Center for Bioinformatics, Bundesstr. 43, 20146 Hamburg, Germany.ORCID 0000-0002-9553-6531
Stephan GüntherBernhard Nocht Institute for Tropical Medicine, Bernhard-Nocht-Str. 74, 20359 Hamburg, Germany.ORCID 0000-0002-6562-0230
Dusan TurkDepartment of Biochemistry and Molecular and Structural Biology, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia.ORCID 0000-0003-0205-6609
Winfried HinrichsUniversität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.ORCID 0000-0002-0435-4565
Henry N ChapmanCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-4655-1743
Arwen R PearsonHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.ORCID 0000-0001-8499-7490
Christian BetzelHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.
Alke MeentsCenter for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany. sebastian.guenther@desy.de alke.meents@desy.de.ORCID 0000-0001-6078-4095
Universität Hamburg · DEEuropean Molecular Biology Laboratory · DEFraunhofer Institute for Translational Medicine and Pharmacology · DELeibniz Institute of Virology (LIV) · DEEuropean X-Ray Free-Electron Laser · DEHelmholtz-Zentrum Berlin für Materialien und Energie · DEJožef Stefan Institute · SICalifornia Institute of Technology · USDeutsches Elektronen-Synchrotron DESY · DEGerman Center for Infection Research · DEHauptman-Woodward Medical Research Institute · USLeibniz University Hannover · DEDompé (Italy) · ITMax Planck Institute for the Structure and Dynamics of Matter · DEUniversity of California, Irvine · US

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous human suffering. To date, no effective drug is available to directly treat the disease. In a search for a drug against COVID-19, we have performed a high-throughput x-ray crystallographic screen of two repurposing drug libraries against the SARS-CoV-2 main protease (M

Indexed as

Allosteric SiteCatalytic DomainDrug DevelopmentAnimalsAntiviral AgentsChlorocebus aethiopsCoronavirus 3C ProteasesCrystallography, X-RayDrug Evaluation, PreclinicalProtease InhibitorsSARS-CoV-2Vero CellsVirus Replication3C-like proteinase, SARS-CoV-2Antiviral AgentsCoronavirus 3C ProteasesProtease Inhibitors

Identifiers

PMID33811162
PMCPMC8224385
OpenAlexW3148554359

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.