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            <deposition>PDBj</deposition>
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        <key_dates>
            <deposition>2025-11-19</deposition>
            <header_release>2026-03-18</header_release>
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            <update>2026-04-01</update>
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                <funding_body>Ministry of Science and Technology (MoST, China)</funding_body>
                <code>2022YFA1303500</code>
                <country>China</country>
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        </grant_support>
        <title>LolCDE in complex with SMT-738_3</title>
        <authors_list>
            <author>Dong CJ</author>
            <author>Li HT</author>
        </authors_list>
        <keywords>Bacterial lipoprotein transporter, LolCDE inhibitor, Cryo-EM, Allosteric conformational change, TRANSPORT PROTEIN</keywords>
    </admin>
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        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author order="1">Li H</author>
                    <author order="2">Zhu X</author>
                    <author order="3">Zhang D</author>
                    <author order="4">Duan X</author>
                    <author order="5">Li J</author>
                    <author order="6">Qu Y</author>
                    <author order="7">Li D</author>
                    <author order="8">Zhang Z</author>
                    <author order="9">Dong H</author>
                    <author order="10">Guo FB</author>
                    <author order="11">Dong C</author>
                    <title>Molecular mechanism of action of small molecule SMT-738 on bacterial lipoprotein transporter LolCDE.</title>
                    <journal_abbreviation>Nat Commun</journal_abbreviation>
                    <country>UK</country>
                    <volume>17</volume>
                    <year>2026</year>
                    <external_references type="PUBMED">41663437</external_references>
                    <external_references type="DOI">doi:10.1038/s41467-026-69411-2</external_references>
                    <external_references type="ISSN">2041-1723</external_references>
                </journal_citation>
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        </citation_list>
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                <emdb_id>EMD-67112</emdb_id>
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                <details>LolCDE in complex with SMT-738_1</details>
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            <emdb_reference>
                <emdb_id>EMD-67113</emdb_id>
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                <details>LolCDE in complex with SMT-738_2</details>
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                <details>LolCDE in complex with SMT-738_1</details>
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                <details>LolCDE in complex with SMT-738_2</details>
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                <details>LolCDE in complex with SMT-738_3</details>
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    <sample>
        <name>LolCDE in complex with SMT-738_3</name>
        <supramolecule_list>
            <complex_supramolecule supramolecule_id="1">
                <name>LolCDE in complex with SMT-738_3</name>
                <parent>0</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>1</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>2</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>3</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <details>an inhibitor SMT-738 bound LolCDE</details>
                <natural_source database="NCBI">
                    <organism ncbi="562">Escherichia coli</organism>
                    <strain>MG1655</strain>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.115</theoretical>
                </molecular_weight>
            </complex_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>Lipoprotein-releasing system transmembrane protein LolC</name>
                <natural_source database="NCBI">
                    <organism ncbi="83333">Escherichia coli K-12</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.043295516</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="469008">Escherichia coli BL21(DE3)</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MYQPVALFIGLRYMRGRAADRFGRFVSWLSTIGITLGVMALVTVLSVMNGFERELQNNILGLMPQAILSSEHGSLNPQQL
PETAVKLDGVNRVAPITTGDVVLQSARSVAVGVMLGIDPAQKDPLTPYLVNVKQTDLEPGKYNVILGEQLASQLGVNRGD
QIRVMVPSASQFTPMGRIPSQRLFNVIGTFAANSEVDGYEMLVNIEDASRLMRYPAGNITGWRLWLDEPLKVDSLSQQKL
PEGSKWQDWRDRKGELFQAVRMEKNMMGLLLSLIVAVAAFNIITSLGLMVMEKQGEVAILQTQGLTPRQIMMVFMVQGAS
AGIIGAILGAALGALLASQLNNLMPIIGVLLDGAALPVAIEPLQVIVIALVAMAIALLSTLYPSWRAAATQPAEALRYE</string>
                    <external_references type="UNIPROTKB">P0ADC3</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="2">
                <name>Lipoprotein-releasing system transmembrane protein LolE</name>
                <natural_source database="NCBI">
                    <organism ncbi="83333">Escherichia coli K-12</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.045385976999999994</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="469008">Escherichia coli BL21(DE3)</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MAMPLSLLIGLRFSRGRRRGGMVSLISVISTIGIALGVAVLIVGLSAMNGFERELNNRILAVVPHGEIEAVDQPWTNWQE
ALDHVQKVPGIAAAAPYINFTGLVESGANLRAIQVKGVNPQQEQRLSALPSFVQGDAWRNFKAGEQQIIIGKGVADALKV
KQGDWVSIMIPNSNPEHKLMQPKRVRLHVAGILQLSGQLDHSFAMIPLADAQQYLDMGSSVSGIALKMTDVFNANKLVRD
AGEVTNSYVYIKSWIGTYGYMYRDIQMIRAIMYLAMVLVIGVACFNIVSTLVMAVKDKSGDIAVLRTLGAKDGLIRAIFV
WYGLLAGLFGSLCGVIIGVVVSLQLTPIIEWIEKLIGHQFLSSDIYFIDFLPSELHWLDVFYVLVTALLLSLLASWYPAR
RASNIDPARVLSGQ</string>
                    <external_references type="UNIPROTKB">P75958</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="3">
                <name>Lipoprotein-releasing system ATP-binding protein LolD</name>
                <natural_source database="NCBI">
                    <organism ncbi="83333">Escherichia coli K-12</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.026576465</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="469008">Escherichia coli BL21(DE3)</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MNKILLQCDNLCKRYQEGSVQTDVLHNVSFSVGEGEMMAIVGSSGSGKSTLLHLLGGLDTPTSGDVIFNGQPMSKLSSAA
KAELRNQKLGFIYQFHHLLPDFTALENVAMPLLIGKKKPAEINSRALEMLKAVGLDHRANHRPSELSGGERQRVAIARAL
VNNPRLVLADEPTGNLDARNADSIFQLLGELNRLQGTAFLVVTHDLQLAKRMSRQLEMRDGRLTAELSLMGAEHHHHHHH
H</string>
                    <external_references type="UNIPROTKB">P75957</external_references>
                </sequence>
                <ec_number>7.6.2.-</ec_number>
            </protein_or_peptide>
            <ligand macromolecule_id="4">
                <name>2-azanyl-1-[6-[2-azanyl-5-(3-methylpyridin-4-yl)-1H-imidazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methyl-propan-1-one</name>
                <molecular_weight>
                    <theoretical units="MDa">0.000392454</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <formula>A1ER4</formula>
            </ligand>
        </macromolecule_list>
    </sample>
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        <structure_determination structure_determination_id="1">
            <method>singleParticle</method>
            <aggregation_state>particle</aggregation_state>
            <specimen_preparation_list>
                <single_particle_preparation preparation_id="1">
                    <concentration units="mg/mL">1.0</concentration>
                    <buffer>
                        <ph>7.8</ph>
                        <component>
                            <concentration units="M">0.15</concentration>
                            <formula>NaCl</formula>
                            <name>sodium chloride</name>
                        </component>
                        <component>
                            <concentration units="M">0.02</concentration>
                            <formula>Tris</formula>
                            <name>2-Amino-2- (hydroxymethyl)-1,3-propanediol</name>
                        </component>
                    </buffer>
                    <grid>
                        <model>Quantifoil R1.2/1.3</model>
                        <material>COPPER</material>
                        <mesh>300</mesh>
                        <support_film film_type_id="1">
                            <film_material>CARBON</film_material>
                            <film_topology>CONTINUOUS</film_topology>
                        </support_film>
                        <pretreatment>
                            <type>GLOW DISCHARGE</type>
                            <time units="s">15</time>
                        </pretreatment>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                    </vitrification>
                    <details>This sample was monodisperse.</details>
                </single_particle_preparation>
            </specimen_preparation_list>
            <microscopy_list>
                <single_particle_microscopy microscopy_id="1">
                    <microscope>TFS KRIOS</microscope>
                    <illumination_mode>FLOOD BEAM</illumination_mode>
                    <imaging_mode>BRIGHT FIELD</imaging_mode>
                    <electron_source>FIELD EMISSION GUN</electron_source>
                    <acceleration_voltage units="kV">300</acceleration_voltage>
                    <nominal_defocus_min units="µm">0.8</nominal_defocus_min>
                    <nominal_defocus_max units="µm">2.5</nominal_defocus_max>
                    <image_recording_list>
                        <image_recording image_recording_id="1">
                            <film_or_detector_model>GATAN K3 (6k x 4k)</film_or_detector_model>
                            <average_electron_dose_per_image units="e/Å^2">50.0</average_electron_dose_per_image>
                        </image_recording>
                    </image_recording_list>
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            <singleparticle_processing image_processing_id="1">
                <image_recording_id>1</image_recording_id>
                <ctf_correction>
                    <software_list>
                        <software>
                            <name>cryoSPARC</name>
                            <version>v4.1</version>
                        </software>
                    </software_list>
                    <type>PHASE FLIPPING AND AMPLITUDE CORRECTION</type>
                </ctf_correction>
                <startup_model type_of_model="INSILICO MODEL"/>
                <final_reconstruction>
                    <resolution units="Å" res_type="BY AUTHOR">2.88</resolution>
                    <resolution_method>OTHER</resolution_method>
                    <software_list>
                        <software>
                            <name>cryoSPARC</name>
                            <version>v4.1</version>
                        </software>
                    </software_list>
                    <number_images_used>403023</number_images_used>
                </final_reconstruction>
                <initial_angle_assignment>
                    <type>PROJECTION MATCHING</type>
                    <projection_matching_processing/>
                </initial_angle_assignment>
                <final_angle_assignment>
                    <type>PROJECTION MATCHING</type>
                    <projection_matching_processing/>
                </final_angle_assignment>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
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            <space_group>1</space_group>
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            <beta units="deg">90.0</beta>
            <gamma units="deg">90.0</gamma>
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