8BAD
 
 | | Tpp80Aa1 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Binary toxin A-like protein, CALCIUM ION, ... | | Authors: | Best, H.L, Williamson, L.J, Rizkallah, P.J, Berry, C, Lloyd-Evans, E. | | Deposit date: | 2022-10-11 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids.
Toxins, 14, 2022
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9HLA
 | | 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
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9HLB
 | | 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
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9HL3
 | | 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
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9HJ8
 | | 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
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9HJ6
 | | 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
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9HL4
 | | 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
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9HL6
 | | 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
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9HLC
 | | 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
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9HL8
 | | 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
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9HLD
 | | 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
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7QA1
 | | The structure of natural crystals of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated using serial femtosecond crystallography at an X-ray free electron laser | | Descriptor: | Toxin-10 pesticidal protein (Tpp) 49Aa1 | | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R, Best, H.L. | | Deposit date: | 2021-11-15 | | Release date: | 2023-05-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8BEY
 | | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 7 | | Descriptor: | Cry49Aa protein | | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R. | | Deposit date: | 2022-10-22 | | Release date: | 2023-11-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8BEX
 | | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 3 | | Descriptor: | Cry49Aa protein | | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R. | | Deposit date: | 2022-10-22 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8BEZ
 | | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 11 | | Descriptor: | Cry49Aa protein | | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R. | | Deposit date: | 2022-10-22 | | Release date: | 2023-11-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
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