8AB8
 
 | | Complex III2, b-position, with decylubiquinone and ascorbate-reduced | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ... | | Authors: | Wieferig, J.P, Kuhlbrandt, W. | | Deposit date: | 2022-07-04 | | Release date: | 2023-01-11 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM.
Iucrj, 10, 2023
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8AB7
 | | Complex III2 from Yarrowia lipolytica, atovaquone and antimycin A bound | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, ... | | Authors: | Wieferig, J.P, Kuhlbrandt, W. | | Deposit date: | 2022-07-04 | | Release date: | 2023-01-11 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM.
Iucrj, 10, 2023
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8AB6
 | | Complex III2 from Yarrowia lipolytica, combined datasets, consensus refinement | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | | Authors: | Wieferig, J.P, Kuhlbrandt, W. | | Deposit date: | 2022-07-04 | | Release date: | 2023-01-11 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM.
Iucrj, 10, 2023
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8AAY
 | | Nudaurelia capensis omega virus maturation intermediate captured at pH5.6 (insect cell expressed VLPs): small class from symmetry expansion | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2022-07-04 | | Release date: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Decoding virus maturation with cryo-EM structures of intermediates
To be published
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8AAU
 | | LIM Domain Kinase 1 (LIMK1) bound to LIMKi3 | | Descriptor: | 1,2-ETHANEDIOL, LIM domain kinase 1, MAGNESIUM ION, ... | | Authors: | Mathea, S, Salah, E, Hanke, T, Knapp, S. | | Deposit date: | 2022-07-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
J.Med.Chem., 65, 2022
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8AAQ
 | | Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP), CRT-416 form | | Descriptor: | Carotenoid-binding protein | | Authors: | Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Minyaev, M.E, Faletrov, Y.V, Boyko, K.M, Sluchanko, N.N. | | Deposit date: | 2022-07-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Preparation and Structural Studies of the Silkworm Carotenoid-Binding Protein Complexed with a New Pigment
Crystallography Reports, 2022
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8AAP
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi | | Descriptor: | (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1 | | Authors: | Feracci, M, Barral, K. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAO
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound 95 | | Descriptor: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1 | | Authors: | Feracci, M, Barral, K. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.469 Å) | | Cite: | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAK
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound 29 | | Descriptor: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1 | | Authors: | Feracci, M, Barral, K. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAI
 | | Crystal structure of the PDZ tandem of syntenin in complex with fragment E5 | | Descriptor: | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid, Syntenin-1 | | Authors: | Feracci, M, Barral, K. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAC
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8AAA
 | | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | | Deposit date: | 2022-06-30 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
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8AA9
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8AA7
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment | | Descriptor: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-06-30 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment
To Be Published
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8A9Z
 | | Tubulin-[1,2]oxazoloisoindole-2e complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole, CALCIUM ION, ... | | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | | Deposit date: | 2022-06-29 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas.
Eur.J.Med.Chem., 243, 2022
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8A9T
 | | Tubulin-[1,2]oxazoloisoindole-1 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | | Deposit date: | 2022-06-29 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas.
Eur.J.Med.Chem., 243, 2022
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8A9O
 | | Structure of the polyamine acetyltransferase DpA | | Descriptor: | ACETYL COENZYME *A, BROMIDE ION, COENZYME A, ... | | Authors: | Garcia-Pino, A, Jurenas, D. | | Deposit date: | 2022-06-28 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.587 Å) | | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii.
Nat Commun, 14, 2023
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8A9N
 | | Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP | | Descriptor: | 1,3-DIAMINOPROPANE, Acetyltransferase, COENZYME A, ... | | Authors: | Garcia-Pino, A, Jurenas, D. | | Deposit date: | 2022-06-28 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.854 Å) | | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii.
Nat Commun, 14, 2023
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8A9K
 | | Cryo-EM structure of USP1-UAF1 bound to FANCI and mono-ubiquitinated FANCD2 with ML323 (consensus reconstruction) | | Descriptor: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, DNA (61-MER), Fanconi anemia group D2 protein, ... | | Authors: | Rennie, M.L, Walden, H. | | Deposit date: | 2022-06-28 | | Release date: | 2022-10-12 | | Last modified: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
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8A9G
 | | Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1 | | Descriptor: | 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ... | | Authors: | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | | Deposit date: | 2022-06-28 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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8A90
 | | Crystal structure of FrsH | | Descriptor: | ACETATE ION, FE (III) ION, GLYCEROL, ... | | Authors: | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | | Deposit date: | 2022-06-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.574 Å) | | Cite: | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis.
Acs Chem.Biol., 18, 2023
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8A8Z
 | | Crystal structure of Danio rerio HDAC6 CD2 in complex with in situ enzymatically hydrolyzed DFMO-based ITF5924 | | Descriptor: | 4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide, Histone deacetylase 6, POTASSIUM ION, ... | | Authors: | Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A. | | Deposit date: | 2022-06-27 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Difluoromethyl-1,3,4-oxadiazoles are slow-binding substrate analog inhibitors of histone deacetylase 6 with unprecedented isotype selectivity.
J.Biol.Chem., 299, 2022
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8A8X
 | | TRIM7 PRYSPRY in complex with a MNV1-NS3 peptide HDDFGLQ | | Descriptor: | E3 ubiquitin-protein ligase TRIM7, MNV1-NS3 C term peptide | | Authors: | Luptak, J. | | Deposit date: | 2022-06-24 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
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8A8O
 | | PAPS reductase from Methanothermococcus thermolithotrophicus refined to 1.45 A | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Alpha-subunit of the PAPS reductase from Methanothermococcus thermolithotrophicus, ... | | Authors: | Jespersen, M, Wagner, T. | | Deposit date: | 2022-06-23 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus.
Nat Microbiol, 8, 2023
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8A8L
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment | | Descriptor: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ... | | Authors: | Snee, M, Katariya, M, Levy, C. | | Deposit date: | 2022-06-23 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
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