Molecular Insights into CLD Domain Dynamics and Toxin Recruitment of the HlyA E. coli T1SS Article Swipe
Rocco Gentile
,
Stephan Schott‐Verdugo
,
Sakshi Khosa
,
Cigdem Günes
,
Michele Bonus
,
Jens Reiners
,
Sander H. J. Smits
,
Lutz Schmitt
,
Holger Gohlke
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1016/j.jmb.2025.169485
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1016/j.jmb.2025.169485
Escherichia coli is a Gram-negative opportunistic pathogen causing nosocomial infections through the production of various virulence factors. Type 1 secretion systems (T1SS) contribute to virulence by mediating the one-step secretion of unfolded substrates into the extracellular space, bypassing the periplasm. A well-studied example is the hemolysin A (HlyA) system, which secretes HlyA toxin in an unfolded state across the inner and outer membranes. T1SS typically comprise a homodimeric ABC transporter (HlyB), a membrane fusion protein (HlyD), and the outer membrane protein TolC. Some ABC transporters in T1SS also contain N-terminal C39 peptidase or peptidase-like (CLD) domains implicated in substrate interaction or activation. Recent cryo-EM studies have resolved the inner-membrane complex as trimer of HlyB homodimers with associated HlyD protomers. However, a full structural model including TolC remains unavailable. We present the first complete structural model of the HlyA T1SS, constructed using template- and MSA-based information and validated by SAXS. Molecular dynamics simulations provide insights into the function of the CLD domains, which are partially absent from existing cryo-EM structures. These domains may modulate transport by stabilizing specific conformations of the complex. Simulations with a C-terminal fragment of HlyA indicate that toxin binding occurs in the occluded conformation of HlyB, potentially initiating substrate transport through a single HlyB protomer before transitioning to an inward-facing state. HlyA binding also induces allosteric effects on HlyD, affecting key residues involved in TolC recruitment. These results indicate how substrate recognition and transport are coupled and may support the development of antimicrobial strategies targeting the T1SS.
Related Topics
Concepts
No concepts available.
Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1016/j.jmb.2025.169485
- OA Status
- hybrid
- References
- 82
- OpenAlex ID
- https://openalex.org/W4415072014
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
-
https://openalex.org/W4415072014Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.1016/j.jmb.2025.169485Digital Object Identifier
- Title
-
Molecular Insights into CLD Domain Dynamics and Toxin Recruitment of the HlyA E. coli T1SSWork title
- Type
-
articleOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2025Year of publication
- Publication date
-
2025-10-11Full publication date if available
- Authors
-
Rocco Gentile, Stephan Schott‐Verdugo, Sakshi Khosa, Cigdem Günes, Michele Bonus, Jens Reiners, Sander H. J. Smits, Lutz Schmitt, Holger GohlkeList of authors in order
- Landing page
-
https://doi.org/10.1016/j.jmb.2025.169485Publisher landing page
- Open access
-
YesWhether a free full text is available
- OA status
-
hybridOpen access status per OpenAlex
- OA URL
-
https://doi.org/10.1016/j.jmb.2025.169485Direct OA link when available
- Cited by
-
0Total citation count in OpenAlex
- References (count)
-
82Number of works referenced by this work
Full payload
| id | https://openalex.org/W4415072014 |
|---|---|
| doi | https://doi.org/10.1016/j.jmb.2025.169485 |
| ids.doi | https://doi.org/10.1016/j.jmb.2025.169485 |
| ids.pmid | https://pubmed.ncbi.nlm.nih.gov/41083144 |
| ids.openalex | https://openalex.org/W4415072014 |
| fwci | 0.0 |
| mesh[0].qualifier_ui | Q000378 |
| mesh[0].descriptor_ui | D029968 |
| mesh[0].is_major_topic | True |
| mesh[0].qualifier_name | metabolism |
| mesh[0].descriptor_name | Escherichia coli Proteins |
| mesh[1].qualifier_ui | Q000737 |
| mesh[1].descriptor_ui | D029968 |
| mesh[1].is_major_topic | True |
| mesh[1].qualifier_name | chemistry |
| mesh[1].descriptor_name | Escherichia coli Proteins |
| mesh[2].qualifier_ui | Q000378 |
| mesh[2].descriptor_ui | D006460 |
| mesh[2].is_major_topic | True |
| mesh[2].qualifier_name | metabolism |
| mesh[2].descriptor_name | Hemolysin Proteins |
| mesh[3].qualifier_ui | Q000737 |
| mesh[3].descriptor_ui | D006460 |
| mesh[3].is_major_topic | True |
| mesh[3].qualifier_name | chemistry |
| mesh[3].descriptor_name | Hemolysin Proteins |
| mesh[4].qualifier_ui | Q000378 |
| mesh[4].descriptor_ui | D004926 |
| mesh[4].is_major_topic | True |
| mesh[4].qualifier_name | metabolism |
| mesh[4].descriptor_name | Escherichia coli |
| mesh[5].qualifier_ui | |
| mesh[5].descriptor_ui | D020285 |
| mesh[5].is_major_topic | False |
| mesh[5].qualifier_name | |
| mesh[5].descriptor_name | Cryoelectron Microscopy |
| mesh[6].qualifier_ui | |
| mesh[6].descriptor_ui | D000072417 |
| mesh[6].is_major_topic | False |
| mesh[6].qualifier_name | |
| mesh[6].descriptor_name | Protein Domains |
| mesh[7].qualifier_ui | Q000378 |
| mesh[7].descriptor_ui | D000069177 |
| mesh[7].is_major_topic | True |
| mesh[7].qualifier_name | metabolism |
| mesh[7].descriptor_name | Type I Secretion Systems |
| mesh[8].qualifier_ui | Q000737 |
| mesh[8].descriptor_ui | D000069177 |
| mesh[8].is_major_topic | True |
| mesh[8].qualifier_name | chemistry |
| mesh[8].descriptor_name | Type I Secretion Systems |
| mesh[9].qualifier_ui | Q000378 |
| mesh[9].descriptor_ui | D018528 |
| mesh[9].is_major_topic | False |
| mesh[9].qualifier_name | metabolism |
| mesh[9].descriptor_name | ATP-Binding Cassette Transporters |
| mesh[10].qualifier_ui | Q000737 |
| mesh[10].descriptor_ui | D018528 |
| mesh[10].is_major_topic | False |
| mesh[10].qualifier_name | chemistry |
| mesh[10].descriptor_name | ATP-Binding Cassette Transporters |
| mesh[11].qualifier_ui | |
| mesh[11].descriptor_ui | D008958 |
| mesh[11].is_major_topic | False |
| mesh[11].qualifier_name | |
| mesh[11].descriptor_name | Models, Molecular |
| mesh[12].qualifier_ui | |
| mesh[12].descriptor_ui | D011485 |
| mesh[12].is_major_topic | False |
| mesh[12].qualifier_name | |
| mesh[12].descriptor_name | Protein Binding |
| mesh[13].qualifier_ui | Q000378 |
| mesh[13].descriptor_ui | D001425 |
| mesh[13].is_major_topic | False |
| mesh[13].qualifier_name | metabolism |
| mesh[13].descriptor_name | Bacterial Outer Membrane Proteins |
| mesh[14].qualifier_ui | Q000737 |
| mesh[14].descriptor_ui | D001425 |
| mesh[14].is_major_topic | False |
| mesh[14].qualifier_name | chemistry |
| mesh[14].descriptor_name | Bacterial Outer Membrane Proteins |
| mesh[15].qualifier_ui | |
| mesh[15].descriptor_ui | D056004 |
| mesh[15].is_major_topic | False |
| mesh[15].qualifier_name | |
| mesh[15].descriptor_name | Molecular Dynamics Simulation |
| mesh[16].qualifier_ui | |
| mesh[16].descriptor_ui | D011487 |
| mesh[16].is_major_topic | False |
| mesh[16].qualifier_name | |
| mesh[16].descriptor_name | Protein Conformation |
| mesh[17].qualifier_ui | |
| mesh[17].descriptor_ui | D026901 |
| mesh[17].is_major_topic | False |
| mesh[17].qualifier_name | |
| mesh[17].descriptor_name | Membrane Transport Proteins |
| type | article |
| title | Molecular Insights into CLD Domain Dynamics and Toxin Recruitment of the HlyA E. coli T1SS |
| biblio.issue | 24 |
| biblio.volume | 437 |
| biblio.last_page | 169485 |
| biblio.first_page | 169485 |
| topics[0].id | https://openalex.org/T10120 |
| topics[0].field.id | https://openalex.org/fields/13 |
| topics[0].field.display_name | Biochemistry, Genetics and Molecular Biology |
| topics[0].score | 0.9987000226974487 |
| topics[0].domain.id | https://openalex.org/domains/1 |
| topics[0].domain.display_name | Life Sciences |
| topics[0].subfield.id | https://openalex.org/subfields/1311 |
| topics[0].subfield.display_name | Genetics |
| topics[0].display_name | Bacterial Genetics and Biotechnology |
| topics[1].id | https://openalex.org/T10044 |
| topics[1].field.id | https://openalex.org/fields/13 |
| topics[1].field.display_name | Biochemistry, Genetics and Molecular Biology |
| topics[1].score | 0.9959999918937683 |
| topics[1].domain.id | https://openalex.org/domains/1 |
| topics[1].domain.display_name | Life Sciences |
| topics[1].subfield.id | https://openalex.org/subfields/1312 |
| topics[1].subfield.display_name | Molecular Biology |
| topics[1].display_name | Protein Structure and Dynamics |
| topics[2].id | https://openalex.org/T11048 |
| topics[2].field.id | https://openalex.org/fields/23 |
| topics[2].field.display_name | Environmental Science |
| topics[2].score | 0.9908999800682068 |
| topics[2].domain.id | https://openalex.org/domains/3 |
| topics[2].domain.display_name | Physical Sciences |
| topics[2].subfield.id | https://openalex.org/subfields/2303 |
| topics[2].subfield.display_name | Ecology |
| topics[2].display_name | Bacteriophages and microbial interactions |
| is_xpac | False |
| apc_list.value | 4250 |
| apc_list.currency | USD |
| apc_list.value_usd | 4250 |
| apc_paid.value | 4250 |
| apc_paid.currency | USD |
| apc_paid.value_usd | 4250 |
| language | en |
| locations[0].id | doi:10.1016/j.jmb.2025.169485 |
| locations[0].is_oa | True |
| locations[0].source.id | https://openalex.org/S46058472 |
| locations[0].source.issn | 0022-2836, 1089-8638 |
| locations[0].source.type | journal |
| locations[0].source.is_oa | False |
| locations[0].source.issn_l | 0022-2836 |
| locations[0].source.is_core | True |
| locations[0].source.is_in_doaj | False |
| locations[0].source.display_name | Journal of Molecular Biology |
| locations[0].source.host_organization | https://openalex.org/P4310320990 |
| locations[0].source.host_organization_name | Elsevier BV |
| locations[0].source.host_organization_lineage | https://openalex.org/P4310320990 |
| locations[0].license | cc-by |
| locations[0].pdf_url | |
| locations[0].version | publishedVersion |
| locations[0].raw_type | journal-article |
| locations[0].license_id | https://openalex.org/licenses/cc-by |
| locations[0].is_accepted | True |
| locations[0].is_published | True |
| locations[0].raw_source_name | Journal of Molecular Biology |
| locations[0].landing_page_url | https://doi.org/10.1016/j.jmb.2025.169485 |
| locations[1].id | pmid:41083144 |
| locations[1].is_oa | False |
| locations[1].source.id | https://openalex.org/S4306525036 |
| locations[1].source.issn | |
| locations[1].source.type | repository |
| locations[1].source.is_oa | False |
| locations[1].source.issn_l | |
| locations[1].source.is_core | False |
| locations[1].source.is_in_doaj | False |
| locations[1].source.display_name | PubMed |
| locations[1].source.host_organization | https://openalex.org/I1299303238 |
| locations[1].source.host_organization_name | National Institutes of Health |
| locations[1].source.host_organization_lineage | https://openalex.org/I1299303238 |
| locations[1].license | |
| locations[1].pdf_url | |
| locations[1].version | publishedVersion |
| locations[1].raw_type | |
| locations[1].license_id | |
| locations[1].is_accepted | True |
| locations[1].is_published | True |
| locations[1].raw_source_name | Journal of molecular biology |
| locations[1].landing_page_url | https://pubmed.ncbi.nlm.nih.gov/41083144 |
| indexed_in | crossref, pubmed |
| authorships[0].author.id | https://openalex.org/A5052341702 |
| authorships[0].author.orcid | https://orcid.org/0009-0007-1391-4986 |
| authorships[0].author.display_name | Rocco Gentile |
| authorships[0].countries | DE |
| authorships[0].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[0].affiliations[0].raw_affiliation_string | Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[0].institutions[0].id | https://openalex.org/I44260953 |
| authorships[0].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[0].institutions[0].type | education |
| authorships[0].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[0].institutions[0].country_code | DE |
| authorships[0].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[0].author_position | first |
| authorships[0].raw_author_name | Rocco Gentile |
| authorships[0].is_corresponding | False |
| authorships[0].raw_affiliation_strings | Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[1].author.id | https://openalex.org/A5062135666 |
| authorships[1].author.orcid | https://orcid.org/0000-0003-0735-1404 |
| authorships[1].author.display_name | Stephan Schott‐Verdugo |
| authorships[1].countries | DE |
| authorships[1].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[1].affiliations[0].raw_affiliation_string | Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Institute of Bio-and Geosciences (IBG-4: Bioinformatics), Forschungzentrum Jülich GmbH, 52425 Jülich, Germany. |
| authorships[1].institutions[0].id | https://openalex.org/I44260953 |
| authorships[1].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[1].institutions[0].type | education |
| authorships[1].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[1].institutions[0].country_code | DE |
| authorships[1].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[1].author_position | middle |
| authorships[1].raw_author_name | Stephan Schott-Verdugo |
| authorships[1].is_corresponding | False |
| authorships[1].raw_affiliation_strings | Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Institute of Bio-and Geosciences (IBG-4: Bioinformatics), Forschungzentrum Jülich GmbH, 52425 Jülich, Germany. |
| authorships[2].author.id | https://openalex.org/A5023410501 |
| authorships[2].author.orcid | |
| authorships[2].author.display_name | Sakshi Khosa |
| authorships[2].countries | DE |
| authorships[2].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[2].affiliations[0].raw_affiliation_string | Institute of Biochemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[2].institutions[0].id | https://openalex.org/I44260953 |
| authorships[2].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[2].institutions[0].type | education |
| authorships[2].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[2].institutions[0].country_code | DE |
| authorships[2].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[2].author_position | middle |
| authorships[2].raw_author_name | Sakshi Khosa |
| authorships[2].is_corresponding | False |
| authorships[2].raw_affiliation_strings | Institute of Biochemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[3].author.id | https://openalex.org/A5119951392 |
| authorships[3].author.orcid | |
| authorships[3].author.display_name | Cigdem Günes |
| authorships[3].countries | DE |
| authorships[3].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[3].affiliations[0].raw_affiliation_string | Institute of Biochemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[3].institutions[0].id | https://openalex.org/I44260953 |
| authorships[3].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[3].institutions[0].type | education |
| authorships[3].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[3].institutions[0].country_code | DE |
| authorships[3].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[3].author_position | middle |
| authorships[3].raw_author_name | Cigdem Günes |
| authorships[3].is_corresponding | False |
| authorships[3].raw_affiliation_strings | Institute of Biochemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[4].author.id | https://openalex.org/A5027647645 |
| authorships[4].author.orcid | https://orcid.org/0000-0003-4411-7342 |
| authorships[4].author.display_name | Michele Bonus |
| authorships[4].countries | DE |
| authorships[4].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[4].affiliations[0].raw_affiliation_string | Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[4].institutions[0].id | https://openalex.org/I44260953 |
| authorships[4].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[4].institutions[0].type | education |
| authorships[4].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[4].institutions[0].country_code | DE |
| authorships[4].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[4].author_position | middle |
| authorships[4].raw_author_name | Michele Bonus |
| authorships[4].is_corresponding | False |
| authorships[4].raw_affiliation_strings | Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[5].author.id | https://openalex.org/A5053722631 |
| authorships[5].author.orcid | https://orcid.org/0000-0001-5969-4471 |
| authorships[5].author.display_name | Jens Reiners |
| authorships[5].countries | DE |
| authorships[5].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[5].affiliations[0].raw_affiliation_string | Center for Structural Studies, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[5].institutions[0].id | https://openalex.org/I44260953 |
| authorships[5].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[5].institutions[0].type | education |
| authorships[5].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[5].institutions[0].country_code | DE |
| authorships[5].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[5].author_position | middle |
| authorships[5].raw_author_name | Jens Reiners |
| authorships[5].is_corresponding | False |
| authorships[5].raw_affiliation_strings | Center for Structural Studies, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[6].author.id | https://openalex.org/A5077256764 |
| authorships[6].author.orcid | https://orcid.org/0000-0003-0780-9251 |
| authorships[6].author.display_name | Sander H. J. Smits |
| authorships[6].countries | DE |
| authorships[6].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[6].affiliations[0].raw_affiliation_string | Institute of Biochemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Center for Structural Studies, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Interfaculty Center for Membrane Research, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[6].institutions[0].id | https://openalex.org/I44260953 |
| authorships[6].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[6].institutions[0].type | education |
| authorships[6].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[6].institutions[0].country_code | DE |
| authorships[6].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[6].author_position | middle |
| authorships[6].raw_author_name | Sander H.J. Smits |
| authorships[6].is_corresponding | False |
| authorships[6].raw_affiliation_strings | Institute of Biochemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Center for Structural Studies, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Interfaculty Center for Membrane Research, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. |
| authorships[7].author.id | https://openalex.org/A5047392065 |
| authorships[7].author.orcid | https://orcid.org/0000-0002-1167-9819 |
| authorships[7].author.display_name | Lutz Schmitt |
| authorships[7].countries | DE |
| authorships[7].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[7].affiliations[0].raw_affiliation_string | Institute of Biochemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Interfaculty Center for Membrane Research, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. Electronic address: [email protected]. |
| authorships[7].institutions[0].id | https://openalex.org/I44260953 |
| authorships[7].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[7].institutions[0].type | education |
| authorships[7].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[7].institutions[0].country_code | DE |
| authorships[7].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[7].author_position | middle |
| authorships[7].raw_author_name | Lutz Schmitt |
| authorships[7].is_corresponding | False |
| authorships[7].raw_affiliation_strings | Institute of Biochemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Interfaculty Center for Membrane Research, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. Electronic address: [email protected]. |
| authorships[8].author.id | https://openalex.org/A5063949219 |
| authorships[8].author.orcid | https://orcid.org/0000-0001-8613-1447 |
| authorships[8].author.display_name | Holger Gohlke |
| authorships[8].countries | DE |
| authorships[8].affiliations[0].institution_ids | https://openalex.org/I44260953 |
| authorships[8].affiliations[0].raw_affiliation_string | Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Institute of Bio-and Geosciences (IBG-4: Bioinformatics), Forschungzentrum Jülich GmbH, 52425 Jülich, Germany; Interfaculty Center for Membrane Research, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. Electronic address: [email protected]. |
| authorships[8].institutions[0].id | https://openalex.org/I44260953 |
| authorships[8].institutions[0].ror | https://ror.org/024z2rq82 |
| authorships[8].institutions[0].type | education |
| authorships[8].institutions[0].lineage | https://openalex.org/I44260953 |
| authorships[8].institutions[0].country_code | DE |
| authorships[8].institutions[0].display_name | Heinrich Heine University Düsseldorf |
| authorships[8].author_position | last |
| authorships[8].raw_author_name | Holger Gohlke |
| authorships[8].is_corresponding | False |
| authorships[8].raw_affiliation_strings | Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany; Institute of Bio-and Geosciences (IBG-4: Bioinformatics), Forschungzentrum Jülich GmbH, 52425 Jülich, Germany; Interfaculty Center for Membrane Research, Heinrich Heine University Düsseldorf 40225 Düsseldorf, Germany. Electronic address: [email protected]. |
| has_content.pdf | False |
| has_content.grobid_xml | False |
| is_paratext | False |
| open_access.is_oa | True |
| open_access.oa_url | https://doi.org/10.1016/j.jmb.2025.169485 |
| open_access.oa_status | hybrid |
| open_access.any_repository_has_fulltext | False |
| created_date | 2025-10-12T00:00:00 |
| display_name | Molecular Insights into CLD Domain Dynamics and Toxin Recruitment of the HlyA E. coli T1SS |
| has_fulltext | False |
| is_retracted | False |
| updated_date | 2025-11-06T03:46:38.306776 |
| primary_topic.id | https://openalex.org/T10120 |
| primary_topic.field.id | https://openalex.org/fields/13 |
| primary_topic.field.display_name | Biochemistry, Genetics and Molecular Biology |
| primary_topic.score | 0.9987000226974487 |
| primary_topic.domain.id | https://openalex.org/domains/1 |
| primary_topic.domain.display_name | Life Sciences |
| primary_topic.subfield.id | https://openalex.org/subfields/1311 |
| primary_topic.subfield.display_name | Genetics |
| primary_topic.display_name | Bacterial Genetics and Biotechnology |
| cited_by_count | 0 |
| locations_count | 2 |
| best_oa_location.id | doi:10.1016/j.jmb.2025.169485 |
| best_oa_location.is_oa | True |
| best_oa_location.source.id | https://openalex.org/S46058472 |
| best_oa_location.source.issn | 0022-2836, 1089-8638 |
| best_oa_location.source.type | journal |
| best_oa_location.source.is_oa | False |
| best_oa_location.source.issn_l | 0022-2836 |
| best_oa_location.source.is_core | True |
| best_oa_location.source.is_in_doaj | False |
| best_oa_location.source.display_name | Journal of Molecular Biology |
| best_oa_location.source.host_organization | https://openalex.org/P4310320990 |
| best_oa_location.source.host_organization_name | Elsevier BV |
| best_oa_location.source.host_organization_lineage | https://openalex.org/P4310320990 |
| best_oa_location.license | cc-by |
| best_oa_location.pdf_url | |
| best_oa_location.version | publishedVersion |
| best_oa_location.raw_type | journal-article |
| best_oa_location.license_id | https://openalex.org/licenses/cc-by |
| best_oa_location.is_accepted | True |
| best_oa_location.is_published | True |
| best_oa_location.raw_source_name | Journal of Molecular Biology |
| best_oa_location.landing_page_url | https://doi.org/10.1016/j.jmb.2025.169485 |
| primary_location.id | doi:10.1016/j.jmb.2025.169485 |
| primary_location.is_oa | True |
| primary_location.source.id | https://openalex.org/S46058472 |
| primary_location.source.issn | 0022-2836, 1089-8638 |
| primary_location.source.type | journal |
| primary_location.source.is_oa | False |
| primary_location.source.issn_l | 0022-2836 |
| primary_location.source.is_core | True |
| primary_location.source.is_in_doaj | False |
| primary_location.source.display_name | Journal of Molecular Biology |
| primary_location.source.host_organization | https://openalex.org/P4310320990 |
| primary_location.source.host_organization_name | Elsevier BV |
| primary_location.source.host_organization_lineage | https://openalex.org/P4310320990 |
| primary_location.license | cc-by |
| primary_location.pdf_url | |
| primary_location.version | publishedVersion |
| primary_location.raw_type | journal-article |
| primary_location.license_id | https://openalex.org/licenses/cc-by |
| primary_location.is_accepted | True |
| primary_location.is_published | True |
| primary_location.raw_source_name | Journal of Molecular Biology |
| primary_location.landing_page_url | https://doi.org/10.1016/j.jmb.2025.169485 |
| publication_date | 2025-10-11 |
| publication_year | 2025 |
| referenced_works | https://openalex.org/W2012507271, https://openalex.org/W2139543196, https://openalex.org/W2796481228, https://openalex.org/W2921806522, https://openalex.org/W2038718832, https://openalex.org/W1997432723, https://openalex.org/W1579532737, https://openalex.org/W180079098, https://openalex.org/W942112336, https://openalex.org/W2611366899, https://openalex.org/W2595396785, https://openalex.org/W1992229229, https://openalex.org/W2053561688, https://openalex.org/W4294011132, https://openalex.org/W2909798426, https://openalex.org/W4210478976, https://openalex.org/W2019288211, https://openalex.org/W2061856372, https://openalex.org/W2092160051, https://openalex.org/W1993791447, https://openalex.org/W2916346555, https://openalex.org/W2019432740, https://openalex.org/W2607578141, https://openalex.org/W2093547815, https://openalex.org/W1993395402, https://openalex.org/W2105371577, https://openalex.org/W4281790889, https://openalex.org/W1595347157, https://openalex.org/W2066142272, https://openalex.org/W2015481485, https://openalex.org/W4392234444, https://openalex.org/W4310490274, https://openalex.org/W2010411596, https://openalex.org/W4404755712, https://openalex.org/W4396721167, https://openalex.org/W2009423060, https://openalex.org/W3135642867, https://openalex.org/W3214806962, https://openalex.org/W2102128987, https://openalex.org/W4405674054, https://openalex.org/W2097365925, https://openalex.org/W3123256617, https://openalex.org/W2767447785, https://openalex.org/W1996913826, https://openalex.org/W2013672945, https://openalex.org/W2015115860, https://openalex.org/W4380048860, https://openalex.org/W2065283382, https://openalex.org/W2765322245, https://openalex.org/W1985588649, https://openalex.org/W2140831051, https://openalex.org/W2003949305, https://openalex.org/W2945218994, https://openalex.org/W4387440676, https://openalex.org/W2989052455, https://openalex.org/W4210272186, https://openalex.org/W4300690836, https://openalex.org/W4312113134, https://openalex.org/W3174407281, https://openalex.org/W3127135885, https://openalex.org/W2100561975, https://openalex.org/W1969189143, https://openalex.org/W2114239896, https://openalex.org/W2075684524, https://openalex.org/W2035266068, https://openalex.org/W2597594834, https://openalex.org/W2332712348, https://openalex.org/W2899110998, https://openalex.org/W2142134255, https://openalex.org/W1978791580, https://openalex.org/W4313332450, https://openalex.org/W3109413273, https://openalex.org/W1982126789, https://openalex.org/W2607732975, https://openalex.org/W1977038370, https://openalex.org/W2124983865, https://openalex.org/W2149885731, https://openalex.org/W4403571667, https://openalex.org/W4233459178, https://openalex.org/W4394908907, https://openalex.org/W4211107719, https://openalex.org/W43726920 |
| referenced_works_count | 82 |
| abstract_inverted_index.1 | 18 |
| abstract_inverted_index.A | 40, 46 |
| abstract_inverted_index.a | 3, 66, 71, 120, 183, 204 |
| abstract_inverted_index.We | 128 |
| abstract_inverted_index.an | 54, 211 |
| abstract_inverted_index.as | 110 |
| abstract_inverted_index.by | 25, 147, 174 |
| abstract_inverted_index.in | 53, 85, 97, 193, 226 |
| abstract_inverted_index.is | 2, 43 |
| abstract_inverted_index.of | 13, 30, 112, 135, 157, 178, 186, 197, 244 |
| abstract_inverted_index.on | 220 |
| abstract_inverted_index.or | 92, 100 |
| abstract_inverted_index.to | 23, 210 |
| abstract_inverted_index.ABC | 68, 83 |
| abstract_inverted_index.C39 | 90 |
| abstract_inverted_index.CLD | 159 |
| abstract_inverted_index.and | 60, 76, 142, 145, 235, 239 |
| abstract_inverted_index.are | 162, 237 |
| abstract_inverted_index.how | 232 |
| abstract_inverted_index.key | 223 |
| abstract_inverted_index.may | 171, 240 |
| abstract_inverted_index.the | 11, 27, 34, 38, 44, 58, 77, 107, 130, 136, 155, 158, 179, 194, 242, 248 |
| abstract_inverted_index.HlyA | 51, 137, 187, 214 |
| abstract_inverted_index.HlyB | 113, 206 |
| abstract_inverted_index.HlyD | 117 |
| abstract_inverted_index.Some | 82 |
| abstract_inverted_index.T1SS | 63, 86 |
| abstract_inverted_index.TolC | 125, 227 |
| abstract_inverted_index.Type | 17 |
| abstract_inverted_index.also | 87, 216 |
| abstract_inverted_index.coli | 1 |
| abstract_inverted_index.from | 165 |
| abstract_inverted_index.full | 121 |
| abstract_inverted_index.have | 105 |
| abstract_inverted_index.into | 33, 154 |
| abstract_inverted_index.that | 189 |
| abstract_inverted_index.with | 115, 182 |
| abstract_inverted_index.(CLD) | 94 |
| abstract_inverted_index.HlyB, | 198 |
| abstract_inverted_index.HlyD, | 221 |
| abstract_inverted_index.SAXS. | 148 |
| abstract_inverted_index.T1SS, | 138 |
| abstract_inverted_index.T1SS. | 249 |
| abstract_inverted_index.These | 169, 229 |
| abstract_inverted_index.TolC. | 81 |
| abstract_inverted_index.first | 131 |
| abstract_inverted_index.inner | 59 |
| abstract_inverted_index.model | 123, 134 |
| abstract_inverted_index.outer | 61, 78 |
| abstract_inverted_index.state | 56 |
| abstract_inverted_index.toxin | 52, 190 |
| abstract_inverted_index.using | 140 |
| abstract_inverted_index.which | 49, 161 |
| abstract_inverted_index.(HlyA) | 47 |
| abstract_inverted_index.(T1SS) | 21 |
| abstract_inverted_index.Recent | 102 |
| abstract_inverted_index.absent | 164 |
| abstract_inverted_index.across | 57 |
| abstract_inverted_index.before | 208 |
| abstract_inverted_index.fusion | 73 |
| abstract_inverted_index.occurs | 192 |
| abstract_inverted_index.single | 205 |
| abstract_inverted_index.space, | 36 |
| abstract_inverted_index.state. | 213 |
| abstract_inverted_index.trimer | 111 |
| abstract_inverted_index.(HlyB), | 70 |
| abstract_inverted_index.(HlyD), | 75 |
| abstract_inverted_index.binding | 191, 215 |
| abstract_inverted_index.causing | 7 |
| abstract_inverted_index.complex | 109 |
| abstract_inverted_index.contain | 88 |
| abstract_inverted_index.coupled | 238 |
| abstract_inverted_index.cryo-EM | 103, 167 |
| abstract_inverted_index.domains | 95, 170 |
| abstract_inverted_index.effects | 219 |
| abstract_inverted_index.example | 42 |
| abstract_inverted_index.induces | 217 |
| abstract_inverted_index.present | 129 |
| abstract_inverted_index.protein | 74, 80 |
| abstract_inverted_index.provide | 152 |
| abstract_inverted_index.remains | 126 |
| abstract_inverted_index.results | 230 |
| abstract_inverted_index.studies | 104 |
| abstract_inverted_index.support | 241 |
| abstract_inverted_index.system, | 48 |
| abstract_inverted_index.systems | 20 |
| abstract_inverted_index.through | 10, 203 |
| abstract_inverted_index.various | 14 |
| abstract_inverted_index.However, | 119 |
| abstract_inverted_index.complete | 132 |
| abstract_inverted_index.complex. | 180 |
| abstract_inverted_index.comprise | 65 |
| abstract_inverted_index.domains, | 160 |
| abstract_inverted_index.dynamics | 150 |
| abstract_inverted_index.existing | 166 |
| abstract_inverted_index.factors. | 16 |
| abstract_inverted_index.fragment | 185 |
| abstract_inverted_index.function | 156 |
| abstract_inverted_index.indicate | 188, 231 |
| abstract_inverted_index.insights | 153 |
| abstract_inverted_index.involved | 225 |
| abstract_inverted_index.membrane | 72, 79 |
| abstract_inverted_index.modulate | 172 |
| abstract_inverted_index.occluded | 195 |
| abstract_inverted_index.one-step | 28 |
| abstract_inverted_index.pathogen | 6 |
| abstract_inverted_index.protomer | 207 |
| abstract_inverted_index.residues | 224 |
| abstract_inverted_index.resolved | 106 |
| abstract_inverted_index.secretes | 50 |
| abstract_inverted_index.specific | 176 |
| abstract_inverted_index.unfolded | 31, 55 |
| abstract_inverted_index.MSA-based | 143 |
| abstract_inverted_index.Molecular | 149 |
| abstract_inverted_index.affecting | 222 |
| abstract_inverted_index.bypassing | 37 |
| abstract_inverted_index.hemolysin | 45 |
| abstract_inverted_index.including | 124 |
| abstract_inverted_index.mediating | 26 |
| abstract_inverted_index.partially | 163 |
| abstract_inverted_index.peptidase | 91 |
| abstract_inverted_index.secretion | 19, 29 |
| abstract_inverted_index.substrate | 98, 201, 233 |
| abstract_inverted_index.targeting | 247 |
| abstract_inverted_index.template- | 141 |
| abstract_inverted_index.transport | 173, 202, 236 |
| abstract_inverted_index.typically | 64 |
| abstract_inverted_index.validated | 146 |
| abstract_inverted_index.virulence | 15, 24 |
| abstract_inverted_index.C-terminal | 184 |
| abstract_inverted_index.N-terminal | 89 |
| abstract_inverted_index.allosteric | 218 |
| abstract_inverted_index.associated | 116 |
| abstract_inverted_index.contribute | 22 |
| abstract_inverted_index.homodimers | 114 |
| abstract_inverted_index.implicated | 96 |
| abstract_inverted_index.infections | 9 |
| abstract_inverted_index.initiating | 200 |
| abstract_inverted_index.membranes. | 62 |
| abstract_inverted_index.nosocomial | 8 |
| abstract_inverted_index.periplasm. | 39 |
| abstract_inverted_index.production | 12 |
| abstract_inverted_index.protomers. | 118 |
| abstract_inverted_index.strategies | 246 |
| abstract_inverted_index.structural | 122, 133 |
| abstract_inverted_index.substrates | 32 |
| abstract_inverted_index.Escherichia | 0 |
| abstract_inverted_index.Simulations | 181 |
| abstract_inverted_index.activation. | 101 |
| abstract_inverted_index.constructed | 139 |
| abstract_inverted_index.development | 243 |
| abstract_inverted_index.homodimeric | 67 |
| abstract_inverted_index.information | 144 |
| abstract_inverted_index.interaction | 99 |
| abstract_inverted_index.potentially | 199 |
| abstract_inverted_index.recognition | 234 |
| abstract_inverted_index.simulations | 151 |
| abstract_inverted_index.stabilizing | 175 |
| abstract_inverted_index.structures. | 168 |
| abstract_inverted_index.transporter | 69 |
| abstract_inverted_index.conformation | 196 |
| abstract_inverted_index.recruitment. | 228 |
| abstract_inverted_index.transporters | 84 |
| abstract_inverted_index.unavailable. | 127 |
| abstract_inverted_index.well-studied | 41 |
| abstract_inverted_index.Gram-negative | 4 |
| abstract_inverted_index.antimicrobial | 245 |
| abstract_inverted_index.conformations | 177 |
| abstract_inverted_index.extracellular | 35 |
| abstract_inverted_index.inward-facing | 212 |
| abstract_inverted_index.opportunistic | 5 |
| abstract_inverted_index.transitioning | 209 |
| abstract_inverted_index.inner-membrane | 108 |
| abstract_inverted_index.peptidase-like | 93 |
| cited_by_percentile_year | |
| countries_distinct_count | 1 |
| institutions_distinct_count | 9 |
| citation_normalized_percentile.value | 0.49816355 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | True |