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        <title>Human gamma-secretase in complex with small molecule Avagacestat</title>
        <authors_list>
            <author>Yang G</author>
            <author>Zhou R</author>
        </authors_list>
        <keywords>small molecule, MEMBRANE PROTEIN, MEMBRANE PROTEIN-HYDROLASE complex</keywords>
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        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author order="1">Yang G</author>
                    <author order="2">Zhou R</author>
                    <author order="3">Guo X</author>
                    <author order="4">Yan C</author>
                    <author order="5">Lei J</author>
                    <author order="6">Shi Y</author>
                    <title>Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.</title>
                    <journal_abbreviation>Cell</journal_abbreviation>
                    <volume>184</volume>
                    <first_page>521</first_page>
                    <last_page>533.e14</last_page>
                    <year>2021</year>
                    <external_references type="PUBMED">33373587</external_references>
                    <external_references type="DOI">doi:10.1016/j.cell.2020.11.049</external_references>
                    <external_references type="ISSN">1097-4172</external_references>
                </journal_citation>
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    <sample>
        <name>human gamma-secretase</name>
        <supramolecule_list>
            <complex_supramolecule supramolecule_id="1">
                <name>human gamma-secretase</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>
                        <macromolecule_id>4</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
            </complex_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>Nicastrin</name>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.07848357</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="9606">Homo sapiens</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MATAGGGSGADPGSRGLLRLLSFCVLLAGLCRGNSVERKIYIPLNKTAPCVRLLNATHQIGCQSSISGDTGVIHVVEKEE
DLQWVLTDGPNPPYMVLLESKHFTRDLMEKLKGRTSRIAGLAVSLTKPSPASGFSPSVQCPNDGFGVYSNSYGPEFAHCR
EIQWNSLGNGLAYEDFSFPIFLLEDENETKVIKQCYQDHNLSQNGSAPTFPLCAMQLFSHMHAVISTATCMRRSSIQSTF
SINPEIVCDPLSDYNVWSMLKPINTTGTLKPDDRVVVAATRLDSRSFFWNVAPGAESAVASFVTQLAAAEALQKAPDVTT
LPRNVMFVFFQGETFDYIGSSRMVYDMEKGKFPVQLENVDSFVELGQVALRTSLELWMHTDPVSQKNESVRNQVEDLLAT
LEKSGAGVPAVILRRPNQSQPLPPSSLQRFLRARNISGVVLADHSGAFHNKYYQSIYDTAENINVSYPEWLSPEEDLNFV
TDTAKALADVATVLGRALYELAGGTNFSDTVQADPQTVTRLLYGFLIKANNSWFQSILRQDLRSYLGDGPLQHYIAVSSP
TNTTYVVQYALANLTGTVVNLTREQCQDPSKVPSENKDLYEYSWVQGPLHSNETDRLPRCVRSTARLARALSPAFELSQW
SSTEYSTWTESRWKDIRARIFLIASKELELITLTVGFGILIFSLIVTYCINAKADVLFIAPREPGAVSY</string>
                    <external_references type="UNIPROTKB">Q92542</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="2">
                <name>Presenilin-1</name>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
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                <molecular_weight>
                    <theoretical units="MDa">0.052713535</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="9606">Homo sapiens</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MTELPAPLSYFQNAQMSEDNHLSNTVRSQNDNRERQEHNDRRSLGHPEPLSNGRPQGNSRQVVEQDEEEDEELTLKYGAK
HVIMLFVPVTLCMVVVVATIKSVSFYTRKDGQLIYTPFTEDTETVGQRALHSILNAAIMISVIVVMTILLVVLYKYRCYK
VIHAWLIISSLLLLFFFSFIYLGEVFKTYNVAVDYITVALLIWNFGVVGMISIHWKGPLRLQQAYLIMISALMALVFIKY
LPEWTAWLILAVISVYDLVAVLCPKGPLRMLVETAQERNETLFPALIYSSTMVWLVNMAEGDPEAQRRVSKNSKYNAEST
ERESQDTVAENDDGGFSEEWEAQRDSHLGPHRSTPESRAAVQELSSSILAGEDPEERGVKLGLGDFIFYSVLVGKASATA
SGDWNTTIACFVAILIGLCLTLLLLAIFKKALPALPISITFGLVFYFATDYLVQPFMDQLAFHQFYI</string>
                    <external_references type="UNIPROTKB">P49768</external_references>
                </sequence>
                <ec_number>3.4.23.-</ec_number>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="3">
                <name>Gamma-secretase subunit APH-1A</name>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.029017942999999997</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="9606">Homo sapiens</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MGAAVFFGCTFVAFGPAFALFLITVAGDPLRVIILVAGAFFWLVSLLLASVVWFILVHVTDRSDARLQYGLLIFGAAVSV
LLQEVFRFAYYKLLKKADEGLASLSEDGRSPISIRQMAYVSGLSFGIISGVFSVINILADALGPGVVGIHGDSPYYFLTS
AFLTAAIILLHTFWGVVFFDACERRRYWALGLVVGSHLLTSGLTFLNPWYEASLLPIYAVTVSMGLWAFITAGGSLRSIQ
RSLLCRRQEDSRVMVYSALRIPPED</string>
                    <external_references type="UNIPROTKB">Q96BI3</external_references>
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                <enantiomer>LEVO</enantiomer>
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REAFLVPAYTEQSQIKGYVWRSAVGFLFWVIVLTSWITIFQIYRPRWGALGDYLSFTIPLGTP</string>
                    <external_references type="UNIPROTKB">Q9NZ42</external_references>
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                <name>2-acetamido-2-deoxy-beta-D-glucopyranose</name>
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                <formula>NAG</formula>
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            <ligand macromolecule_id="8">
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                <formula>EN9</formula>
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                <number_of_copies>3</number_of_copies>
                <formula>CLR</formula>
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