7GL6
 
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-8695a11f-1 (Mpro-P1701) | | Descriptor: | (3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.721 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8JE9
 | | Crystal structure of CGL1 from Crassostrea gigas, mannobiose-bound form (CGL1/Man(alpha)1-2Man) | | Descriptor: | ACETIC ACID, CACODYLATE ION, Natterin-3, ... | | Authors: | Unno, H, Hatakeyama, T. | | Deposit date: | 2023-05-15 | | Release date: | 2023-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Mannose oligosaccharide recognition of CGL1, a mannose-specific lectin containing DM9 motifs from Crassostrea gigas, revealed by X-ray crystallographic analysis.
J.Biochem., 175, 2023
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7GLL
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-4fff0a85-1 (Mpro-P1988) | | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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9HCH
 | | Mouse mitoribosome large subunit assembly intermediate bound to NSUN4, METRF4, GTPBP7 and the MALSU1-L0R8F8-mt-ACP complex, State C1 (SAMC knock-out) | | Descriptor: | 16S rRNA (1584-MER), 5-cytosine rRNA methyltransferase NSUN4, Acyl carrier protein, ... | | Authors: | Singh, V, Rorbach, J, Freyer, C, Amunts, A, Wredenberg, A. | | Deposit date: | 2024-11-10 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | The mitochondrial methylation potential gates mitoribosome assembly.
Nat Commun, 16, 2025
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4K61
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7HLM
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z29077827 | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, SULFATE ION, ... | | Authors: | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-11-04 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5TGX
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7HME
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z319545618 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile, E3 ubiquitin-protein ligase TRIM21, ... | | Authors: | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-11-04 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7HMI
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1742054999 | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, N,N-dimethyl-5-(piperidin-4-yl)-1,2,4-oxadiazol-3-amine, ... | | Authors: | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-11-04 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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6BR4
 | | Crystal structure of Escherichia coli DsbA in complex with {N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine | | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine | | Authors: | Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J, Martin, J.L. | | Deposit date: | 2017-11-29 | | Release date: | 2017-12-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
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6MO3
 | | Citrobacter freundii tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from L-serine | | Descriptor: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, POTASSIUM ION, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2018-10-04 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020
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7HLX
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z32367954 | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, SULFATE ION, ... | | Authors: | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-11-04 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7HMD
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z425387594 | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-ethoxyphenyl)piperazine, E3 ubiquitin-protein ligase TRIM21, ... | | Authors: | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-11-04 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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6G6W
 | | HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide | | Authors: | Segarra, V, Hernandez, B, Jestel, A, Mortel, M, Nagel, S. | | Deposit date: | 2018-04-03 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery of a Novel Inhaled PI3K delta Inhibitor for the Treatment of Respiratory Diseases.
J. Med. Chem., 61, 2018
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7HO7
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z30820160 | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ... | | Authors: | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-11-04 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3JYA
 | | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | | Descriptor: | 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Stoll, V.S. | | Deposit date: | 2009-09-21 | | Release date: | 2009-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
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4GZB
 | | Crystal structure of native AmpC beta-lactamase from Pseudomonas aeruginosa PAO1 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S. | | Deposit date: | 2012-09-06 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases
Antimicrob.Agents Chemother., 57, 2013
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9B9T
 | | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40407 | | Descriptor: | DDB1- and CUL4-associated factor 1, N-{(1P)-5'-[(17-{(4P)-4-[(2P)-4-{[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-1H-pyrazol-1-yl}-16-oxo-3,6,9,12-tetraoxa-15-azaheptadecan-1-yl)carbamoyl]-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Mabanglo, M.F, Wilson, B.J, Krausser, C, Hoffer, L, Al-awar, R, Vedadi, M. | | Deposit date: | 2024-04-03 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
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6I8B
 | | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | | Descriptor: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | Deposit date: | 2018-11-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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9HCG
 | | Mouse mitoribosome large subunit assembly intermediate bound to NSUN4, METRF4, MRM2, GTPBP7 and MALSU1-L0R8F8-mt-ACP complex, State D (SAMC knock-out) | | Descriptor: | 16S rRNA (1584-MER), 5-cytosine rRNA methyltransferase NSUN4, Acyl carrier protein, ... | | Authors: | Singh, V, Freyer, C, Amunts, A, Wredenberg, A. | | Deposit date: | 2024-11-08 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | The mitochondrial methylation potential gates mitoribosome assembly.
Nat Commun, 16, 2025
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7BQ4
 | | X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ... | | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-03-23 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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5EQL
 | | Isoform-specific inhibition of SUMO-dependent protein-protein interactions | | Descriptor: | SUMO-Affirmer-S2D5, Small ubiquitin-related modifier 2 | | Authors: | Hughes, D.J, Tiede, C, Hall, N, Tang, A.A.S, Trinh, C.H, Zajac, K, Mandal, U, Howell, G, Edwards, T.A, McPherson, M.J, Tomlinson, D.C, Whitehouse, A. | | Deposit date: | 2015-11-13 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Generation of specific inhibitors of SUMO-1- and SUMO-2/3-mediated protein-protein interactions using Affimer (Adhiron) technology.
Sci Signal, 10, 2017
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6SR4
 | | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 112 fs time delay | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Kloos, M, Gorel, A, Nass, K. | | Deposit date: | 2019-09-04 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
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6MM6
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7C23
 | | Crystal structure of CrmE10, a SGNH-hydrolase family esterase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Li, Z, Li, J. | | Deposit date: | 2020-05-07 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
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