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6FEQ
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BU of 6feq by Molmil
Structure of inhibitor-bound ABCG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P.
Deposit date:2018-01-03
Release date:2018-04-11
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
6HIJ
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BU of 6hij by Molmil
Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ATP-binding cassette sub-family G member 2, CHOLESTEROL, ...
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P.
Deposit date:2018-08-30
Release date:2018-09-19
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat.Struct.Mol.Biol., 25, 2018
6ETI
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BU of 6eti by Molmil
Structure of inhibitor-bound ABCG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P.
Deposit date:2017-10-26
Release date:2018-04-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
6FFC
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BU of 6ffc by Molmil
Structure of an inhibitor-bound ABC transporter
Descriptor: ATP-binding cassette sub-family G member 2, ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P.
Deposit date:2018-01-06
Release date:2018-04-11
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
8P8J
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BU of 8p8j by Molmil
Structure of 5D3-Fab and nanobody(Nb96)-bound ABCG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
Authors:Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P.
Deposit date:2023-06-01
Release date:2023-08-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
8P7W
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BU of 8p7w by Molmil
Structure of 5D3-Fab and nanobody(Nb8)-bound ABCG2
Descriptor: 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ATP-binding cassette sub-family G member 2, ...
Authors:Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P.
Deposit date:2023-05-31
Release date:2023-08-30
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
8P8A
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BU of 8p8a by Molmil
Structure of 5D3-Fab and nanobody(Nb17)-bound ABCG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
Authors:Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P.
Deposit date:2023-05-31
Release date:2023-08-30
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
5NJ3
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BU of 5nj3 by Molmil
Structure of an ABC transporter: complete structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ...
Authors:Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structure of the human multidrug transporter ABCG2.
Nature, 546, 2017
7OJ8
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BU of 7oj8 by Molmil
ABCG2 E1S turnover-2 state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ...
Authors:Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P.
Deposit date:2021-05-14
Release date:2021-07-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
7OJH
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BU of 7ojh by Molmil
ABCG2 topotecan turnover-1 state
Descriptor: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ...
Authors:Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P.
Deposit date:2021-05-15
Release date:2021-07-21
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
7OJI
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BU of 7oji by Molmil
ABCG2 topotecan turnover-2 state
Descriptor: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ...
Authors:Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P.
Deposit date:2021-05-16
Release date:2021-07-21
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
9HLD
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BU of 9hld by Molmil
TRPML1 in complex with compound 13
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 1-[(8R,9S,13S,14S,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-12-04
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HLA
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BU of 9hla by Molmil
TRPML1 in complex with compound 9a
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-12-04
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HLB
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BU of 9hlb by Molmil
TRPML1 in complex with compound 10
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-12-04
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HJ8
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BU of 9hj8 by Molmil
TRPML1 in complex with compound 5
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-11-28
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HLC
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BU of 9hlc by Molmil
TRPML1 in complex with compound 11
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-12-04
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HL3
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BU of 9hl3 by Molmil
TRPML1 in complex with compound 1a
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-[2-oxidanylidene-2-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-12-04
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HJ6
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BU of 9hj6 by Molmil
TRPML1 in complex with compound 2
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEXADECANE, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-11-28
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HL4
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BU of 9hl4 by Molmil
TRPML1 in complex with compound 3
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-12-04
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HL6
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BU of 9hl6 by Molmil
TRPML1 in complex with compound 4a
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(3R)-3-[1-(4-chloranyl-2-fluoranyl-phenyl)piperidin-4-yl]-3-methyl-2H-indol-1-yl]sulfonyl]-N,N-dimethyl-benzenesulfonamide, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-12-04
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
9HL8
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BU of 9hl8 by Molmil
TRPML1 in complex with compound 8
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ...
Authors:Reeks, J, Mahajan, P, Clark, M, Cowan, S.R, Di Daniel, E, Earl, C.P, Fisher, S, Holvey, R.S, Jackson, S.M, Lloyd-Evans, E, Morgillo, C.M, Mortenson, P.N, O'Reilly, M, Richardson, C.J, Schopf, P, Tams, D.M, Waller-Evans, H, Ward, S.E, Whibley, S, Williams, P.A, Johnson, C.N.
Deposit date:2024-12-04
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Enabling High Throughput Electron Cryo-microscopy for Structure-based Design
To Be Published
8Q7B
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BU of 8q7b by Molmil
ABCG2 in complex with MZ29 and 5D3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
Authors:Kowal, J, Yu, Q, Ni, D, Stahlberg, H, Tajkhorshid, E, Altmann, K.H, Locher, K.P, Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Zechner, M.
Deposit date:2023-08-16
Release date:2024-11-06
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Modulation of ABCG2 Transporter Activity by Ko143 Derivatives.
Acs Chem.Biol., 19, 2024
5NJG
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BU of 5njg by Molmil
Structure of an ABC transporter: part of the structure that could be built de novo
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ...
Authors:Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structure of the human multidrug transporter ABCG2.
Nature, 546, 2017
6HZM
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BU of 6hzm by Molmil
Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium (alternative placement of Magnesium into the cryo-EM density)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION
Authors:Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P.
Deposit date:2018-10-23
Release date:2018-11-14
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
6HBU
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BU of 6hbu by Molmil
Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION
Authors:Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P.
Deposit date:2018-08-13
Release date:2018-11-07
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018

 

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