Primary Citation | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Xie SC, Metcalfe RD, Mizutani H, Puhalovich T, Hanssen E, Morton CJ, Du Y, Dogovski C, Huang SC, Ciavarri J, Hales P, Griffin RJ, Cohen LH, Chuang BC, Wittlin S, Deni I, Yeo T, Ward KE, Barry DC, Liu B, Gillett DL, Crespo-Fernandez BF, Ottilie S, Mittal N, Churchyard A, Ferguson D, Aguiar ACC, Guido RVC, Baum J, Hanson KK, Winzeler EA, Gamo FJ, Fidock DA, Baud D, Parker MW, Brand S, Dick LR, Griffin MDW, Gould AE, Tilley L Proc Natl Acad Sci USA (2021) PubMed DOI show all entries for this citation |
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Funding Source | Global Health Innovative Technology Fund, Australian Research Council (ARC) |
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Status | Deposited | Released | Last Update |
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REL | 2021-03-05 | 2021-09-22 | 2024-11-20 |
Name: Homo sapiens 20S proteasome complexed with ML052SpecimenType: particle MW: 0.7 MDa pH: 7.4
Component Types | complex |
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Component Names | Homo sapiens 20S proteasome complexed with ML052 |
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Molecular Types | ligand, protein |
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Molecule Names | - N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
- Proteasome subunit alpha type-1
- Proteasome subunit alpha type-2
- Proteasome subunit alpha type-3
- Proteasome subunit alpha type-4
- Proteasome subunit alpha type-5
- Proteasome subunit alpha type-6
- Proteasome subunit alpha type-7
- Proteasome subunit beta type-1
- Proteasome subunit beta type-2
- Proteasome subunit beta type-3
- Proteasome subunit beta type-4
- Proteasome subunit beta type-5
- Proteasome subunit beta type-6
- Proteasome subunit beta type-7
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Sources | Homo sapiens ncbi:9606 Plasmodium falciparum 3D7 ncbi:36329 |
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Ligand IDs: YHD
Specimen Preparation | vitrification |
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Vitrification | FEI VITROBOT MARK III |
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Microscope | FEI TALOS ARCTICA (200 kV) |
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Detector | GATAN K2 SUMMIT (4k x 4k) |
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Electron Dose | 50 (e/sq. Å) |
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Number of Particles | 192367 |
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Details: sharpened map used for refinement
Map File Size | 108 Mbytes |
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Voxel Dimensions (Å) | 1.31 x 1.31 x 1.31 |
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Map Dimensions (voxels) | 300 x 300 x 300 |
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Map Data Type | IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) |
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Density Statistics | Min -20.277Max 28.628Avg 0Std 1 |
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Recommended Contour Level | 5 (5.0 σ) |
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Mol*3DViewer Map Visual Analysis @ EMDBCurrent: files.wwpdb.org (USA)
View EMDB map entry EMD-23576: | |
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View associated model PDB 7lxv: | |
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