9DTS
 
 | | Crystal structure of the human eIF4A1/AMPPNP/amidino-rocaglate/polypurine RNA complex | | Descriptor: | (3aR,4R,5S,5aR,10bR)-3a-hydroxy-N,8,10-trimethoxy-5a-(4-methoxyphenyl)-N,2-dimethyl-5-phenyl-3a,4,5,5a-tetrahydro-1H-[1]benzofuro[3',2':1,5]cyclopenta[1,2-d]imidazole-4-carboxamide, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | | Authors: | Conley, J.F, Allen, K.N. | | Deposit date: | 2024-10-01 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural Basis for the Improved RNA Clamping of Amidino-Rocaglates to eIF4A1.
Acs Omega, 10, 2025
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4QLV
 | | yCP in complex with tripeptidic epoxyketone inhibitor 17 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide, ... | | Authors: | de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H. | | Deposit date: | 2014-06-13 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
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5ME0
 | | Structure of the 30S Pre-Initiation Complex 1 (30S IC-1) Stalled by GE81112 | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Lopez-Alonso, J.P, Fabbretti, A, Kaminishi, T, Iturrioz, I, Brandi, L, Gil Carton, D, Gualerzi, C, Fucini, P, Connell, S. | | Deposit date: | 2016-11-14 | | Release date: | 2017-01-11 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (13.5 Å) | | Cite: | Structure of a 30S pre-initiation complex stalled by GE81112 reveals structural parallels in bacterial and eukaryotic protein synthesis initiation pathways.
Nucleic Acids Res., 45, 2017
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6A89
 | | Crystal structure of the ternary complex of peptidoglycan recognition protein (PGRP-S) with Tartaric acid, Ribose and 2,6-DIAMINOPIMELIC ACID at 2.11 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2,6-DIAMINOPIMELIC ACID, GLYCEROL, ... | | Authors: | Bairagya, H.R, Shokeen, A, Sharma, P, Singh, P.K, Sharma, S, Singh, T.P. | | Deposit date: | 2018-07-06 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of the ternary complex of peptidoglycan recognition protein (PGRP-S) with Tartaric acid, Ribose and 2,6-DIAMINOPIMELIC ACID at 2.11 A resolution
To Be Published
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8TZU
 | | OC43 S1b domain in complex with WNb 293 and WNb 317 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Pymm, P, Feng, J, Tham, W.H. | | Deposit date: | 2023-08-27 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Human coronavirus OC43 nanobody neutralizes virus and protects mice from infection.
J.Virol., 98, 2024
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7KT1
 | | DNA Polymerase Mu, dGTP:At Reaction State Ternary Complex, 50 mM Mn2+ (180min) | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.665 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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6AFK
 | | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | | Descriptor: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C. | | Deposit date: | 2018-08-08 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors.
Acs Infect Dis., 5, 2019
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6AG8
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9DRH
 | | Crystal structure of Tet(X7) bound to anhydrotetracycline C10-benzoate ester | | Descriptor: | (6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-8,10a,12-trihydroxy-5-methyl-10,11-dioxo-6,6a,7,10,10a,11-hexahydrotetracen-1-yl pyrimidine-2-carboxylate, FLAVIN-ADENINE DINUCLEOTIDE, Tet(X7) | | Authors: | Tang, W.K, Tolia, N.H. | | Deposit date: | 2024-09-25 | | Release date: | 2025-03-05 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | C10-Benzoate Esters of Anhydrotetracycline Inhibit Tetracycline Destructases and Recover Tetracycline Antibacterial Activity.
Acs Infect Dis., 11, 2025
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6PC8
 | | E. coli 50S ribosome bound to compound 40q | | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2019-06-16 | | Release date: | 2020-06-17 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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8B3L
 | | Hen Egg White Lysozyme 2s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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7A3T
 | | Crystal structure of dengue 3 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8 | | Descriptor: | Core protein, EDE1 C8 antibody Fab fragment, GLYCEROL, ... | | Authors: | Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A. | | Deposit date: | 2020-08-18 | | Release date: | 2021-12-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
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9GCC
 | | CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND47 | | Descriptor: | 1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | | Authors: | Schaefer, M, Fuerstner, C. | | Deposit date: | 2024-08-01 | | Release date: | 2024-11-27 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Discovery and Preclinical Characterization of Fulacimstat (BAY 1142524), a Potent and Selective Chymase Inhibitor As a New Profibrinolytic Approach for Safe Thrombus Resolution.
J.Med.Chem., 68, 2025
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9GDI
 | | HUMAN PI3KDELTA IN COMPLEX WITH ISOCUMARIN INHIBITOR 10 | | Descriptor: | 3-[(1S)-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | | Deposit date: | 2024-08-05 | | Release date: | 2024-12-18 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 68, 2025
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6GFP
 | | cyanobacterial GAPDH with NADP bound | | Descriptor: | FORMIC ACID, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, ... | | Authors: | McFarlane, C.R, Briggs, L, Murray, J.W. | | Deposit date: | 2018-05-01 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
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9G8J
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6AMM
 | | CAT192 Fab Insertion Mutant H0/L1 | | Descriptor: | CAT192 Fab Heavy chain, CAT192 Fab Light chain | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2017-08-10 | | Release date: | 2018-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
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7H4J
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z53825020 (A71EV2A-x0875) | | Descriptor: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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5H19
 | | EED in complex with PRC2 allosteric inhibitor EED162 | | Descriptor: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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7H50
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1143441220 (A71EV2A-x1169) | | Descriptor: | 1,3-oxazole-4-carbonitrile, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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8YTL
 | | Human PPAR alpha ligand binding domain in complex with a 1H-pyrazolo[3,4-b]pyridine-derived compound | | Descriptor: | 1-(4-fluorophenyl)-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Tachibana, K, Morie, T, Fukuda, S, Yuzuriha, T, Ishimoto, K, Nunomura, K, Lin, B, Miyachi, H, Oki, H, Kawahara, K, Meguro, K, Nakagawa, S, Tsujikawa, K, Akai, S, Doi, T, Yoshida, T. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural evolution of 1H-pyrazolo[3,4-b]pyridine-derived PPARalpha activators as leads for nonalcoholic steatohepatitis
To Be Published
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5VMO
 | | Crystal structure of grouper iridovirus GIV66:Bim complex | | Descriptor: | 1,2-ETHANEDIOL, Bak protein, Bcl-2 interacting mediator of cell death, ... | | Authors: | Banjara, S, Kvansakul, M. | | Deposit date: | 2017-04-28 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Grouper iridovirus GIV66 is a Bcl-2 protein that inhibits apoptosis by exclusively sequestering Bim.
J. Biol. Chem., 293, 2018
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6SQF
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7KTM
 | | DNA Polymerase Mu (K438D), 8-oxodGTP:Ct Reaction State Ternary Complex, 50 mM Mn2+ (30min) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.528 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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4XWX
 | | Crystal structure of the PTB domain of SHC | | Descriptor: | 1,2-ETHANEDIOL, SHC-transforming protein 1, SODIUM ION | | Authors: | Chaikuad, A, Tallant, C, Krojer, T, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-01-29 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of the PTB domain of SHC
To Be Published
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