9H6E
 
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6RML
 | | Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide | | Descriptor: | 53BP1, DNA topoisomerase 2-binding protein 1 | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2019-05-07 | | Release date: | 2019-06-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
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8P2F
 | | Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane in post-translocational state | | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ... | | Authors: | Gonzalez-Lopez, A, Selmer, M. | | Deposit date: | 2023-05-16 | | Release date: | 2024-05-01 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.
Sci Rep, 14, 2024
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6RMS
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9N3R
 | | Crystal structure of PRMT5:MEP50 in complex with MTA and TNG462 | | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | | Authors: | Whittington, D.A. | | Deposit date: | 2025-01-31 | | Release date: | 2025-03-12 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
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9N2B
 | | Impacts of ribosomal RNA sequence variation on gene expression and phenotype: Cryo-EM structure of the rrsB ribosome (BBB-70S) | | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA (rRNA) from the rrnB operon, 23S ribosomal RNA (rRNA) from the rrnB operon, ... | | Authors: | Welfer, G.A, Brady, R.A, Natchiar, S.K, Watson, Z.L, Rundlet, E.J, Alejo, J.L, Singh, A.P, Mishra, N.K, Altman, R.B, Blanchard, S.C. | | Deposit date: | 2025-01-28 | | Release date: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Impacts of ribosomal RNA sequence variation on gene expression and phenotype.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 380, 2025
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8P2G
 | | Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane with a tRNA in pe/E chimeric state | | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ... | | Authors: | Gonzalez-Lopez, A, Selmer, M. | | Deposit date: | 2023-05-16 | | Release date: | 2024-05-01 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (2.02 Å) | | Cite: | Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.
Sci Rep, 14, 2024
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7AJG
 | | bovine ATP synthase dimer state2:state3 | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ... | | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-09-29 | | Release date: | 2021-02-03 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (10.7 Å) | | Cite: | Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8PEE
 | | ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC | | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1, ... | | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | Deposit date: | 2023-06-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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9N3Q
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7CI7
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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8AY6
 | | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-SB-HAB1 TERNARY COMPLEX | | Descriptor: | 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, Abscisic acid receptor PYL1, CHLORIDE ION, ... | | Authors: | Infantes, L, Albert, A. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
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8IC5
 | | Respiratory complex CIII2, focus-refined of type I, PERK -/- mouse under cold temperature | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CARDIOLIPIN, ... | | Authors: | Shin, Y.-C, Liao, M. | | Deposit date: | 2023-02-10 | | Release date: | 2024-09-18 | | Last modified: | 2024-12-04 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
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7CI8
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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6OJB
 | | Crystal Structure of Aspergillus fumigatus Ega3 complex with galactosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-alpha-D-galactopyranose, ... | | Authors: | Bamford, N.C, Howell, P.L. | | Deposit date: | 2019-04-11 | | Release date: | 2019-08-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms.
J.Biol.Chem., 294, 2019
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8UGT
 | | E. eligens beta-glucuronidase bound to UNC10206581-G | | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline, Beta-glucuronidase, GLYCEROL, ... | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-10-06 | | Release date: | 2024-07-24 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advanced piperazine-containing inhibitors target microbial beta-glucuronidases linked to gut toxicity.
Rsc Chem Biol, 5, 2024
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8IBC
 | | Respiratory complex CIII2, focus-refined of type IB, Wild type mouse under cold temperature | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CARDIOLIPIN, ... | | Authors: | Shin, Y.-C, Liao, M. | | Deposit date: | 2023-02-10 | | Release date: | 2024-09-18 | | Last modified: | 2024-12-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
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5YB9
 | | Crystal structure of a dimeric cyclophilin A from T.vaginalis | | Descriptor: | Peptidyl-prolyl cis-trans isomerase | | Authors: | Cho, C.C, Lin, M.H, Chou, C.C, Martin, T, Chen, C, Hsu, C.H. | | Deposit date: | 2017-09-04 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.276 Å) | | Cite: | Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis
Sci Rep, 8, 2018
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6TCU
 | | Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | | Descriptor: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta | | Authors: | Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R. | | Deposit date: | 2019-11-06 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model.
Acs Med.Chem.Lett., 11, 2020
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8DIS
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9I6N
 | | Hen egg-white lysozyme structure collected at EuXFEL SPB/SFX with HVE injection method | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Zabelskii, D, Round, E, Han, H, von Stetten, D, Melo, D, de Wijn, R, Bean, R, Round, A. | | Deposit date: | 2025-01-30 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Viscoelastic characterization of the lipid cubic phase provides insights into high-viscosity extrusion injection for XFEL experiments.
To Be Published
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9I6K
 | | Hen egg-white lysozyme structure at 85% relative humidity | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Zabelskii, D, Round, E, Han, H, von Stetten, D, Melo, D, de Wijn, R, Round, A. | | Deposit date: | 2025-01-30 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Viscoelastic characterization of the lipid cubic phase provides insights into high-viscosity extrusion injection for XFEL experiments.
To Be Published
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5JAH
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9I6L
 | | Hen egg-white lysozyme structure at 75% relative humidity | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Zabelskii, D, Round, E, Han, H, von Stetten, D, Melo, D, de Wijn, R, Round, A. | | Deposit date: | 2025-01-30 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Viscoelastic characterization of the lipid cubic phase provides insights into high-viscosity extrusion injection for XFEL experiments.
To Be Published
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5Y35
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