6QDD
 
 | | Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105 | | Descriptor: | 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2019-01-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
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6ZOJ
 | | SARS-CoV-2-Nsp1-40S complex, composite map | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M.L, Thiel, V, Muehlemann, O, Ban, N. | | Deposit date: | 2020-07-07 | | Release date: | 2020-07-22 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
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5JSV
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)amino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | | Descriptor: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2016-05-09 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Application of carbohydrates based lin-benzoguanines in a solvent-exposed subpocket of the tRNA-modifying Enzyme TGT
To be Published
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8E3M
 | | E. coli 50S ribosome bound to L-linker solithromycin conjugate | | Descriptor: | 50S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-17 | | Release date: | 2023-06-28 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.25 Å) | | Cite: | Solithromycin siderophore conjugates
To Be Published
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4TT4
 | | Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide | | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ... | | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | Deposit date: | 2014-06-19 | | Release date: | 2014-12-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
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9ITD
 | | Human MTHFD1 in complex with compound 16a | | Descriptor: | (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, C-1-tetrahydrofolate synthase, cytoplasmic, ... | | Authors: | Lee, L.C, Wu, S.Y. | | Deposit date: | 2024-07-19 | | Release date: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Development of Potent and Selective Inhibitors of Methylenetetrahydrofolate Dehydrogenase 2 for Targeting Acute Myeloid Leukemia: SAR, Structural Insights, and Biological Characterization.
J.Med.Chem., 67, 2024
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8E3O
 | | E. coli 50S ribosome bound to solithromycin and VM1 | | Descriptor: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-17 | | Release date: | 2023-06-28 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (1.99 Å) | | Cite: | Solithromycin siderophore conjugates
To Be Published
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7Q4C
 | | Local refinement structure of the C-domain of full-length, monomeric, soluble somatic angiotensin I-converting enzyme | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | | Authors: | Lubbe, L, Sewell, B.T, Sturrock, E.D. | | Deposit date: | 2021-10-30 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.08 Å) | | Cite: | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
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5WIF
 | | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, BORIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Shatsman, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-07-19 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis
To Be Published
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7ZO2
 | | L1 metallo-beta-lactamase complex with hydrolysed doripenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase L1, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-04-24 | | Release date: | 2023-03-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products.
J.Biol.Chem., 299, 2023
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8D6K
 | | Sco GlgEI-V279S in complex with cyclohexyl carbasugar | | Descriptor: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | | Authors: | Jayasinghe, T.J, Ronning, D.R. | | Deposit date: | 2022-06-06 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative.
Front Chem, 10, 2022
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8PJ1
 | | Structure of human 48S translation initiation complex in open codon scanning state (48S-1) | | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Petrychenko, V, Yi, S.-H, Liedtke, D, Peng, B.Z, Rodnina, M.V, Fischer, N. | | Deposit date: | 2023-06-22 | | Release date: | 2024-08-14 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for translational control by the human 48S initiation complex.
Nat.Struct.Mol.Biol., 2024
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6L4L
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8RI2
 | | Crystal structure of NLRP3 in complex with inhibitor NP3-562 | | Descriptor: | 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Dekker, C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors.
J.Med.Chem., 67, 2024
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5K5B
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | | Deposit date: | 2016-05-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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8F86
 | | SIRT6 bound to an H3K9Ac nucleosome | | Descriptor: | DNA (148-MER), Histone H2A type 1, Histone H2B, ... | | Authors: | Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. | | Deposit date: | 2022-11-21 | | Release date: | 2023-04-05 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation.
J.Am.Chem.Soc., 145, 2023
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7ZO4
 | | L1 metallo-beta-lactamase in complex with hydrolysed panipenem | | Descriptor: | (2R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SODIUM ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-04-24 | | Release date: | 2023-03-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products.
J.Biol.Chem., 299, 2023
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8HCA
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ... | | Authors: | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | Deposit date: | 2022-11-01 | | Release date: | 2023-01-25 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.35 Å) | | Cite: | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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5FP4
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9ED7
 | | Active state of mTOR on membrane | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTP-binding protein Rheb, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Cui, Z, Hurley, J. | | Deposit date: | 2024-11-16 | | Release date: | 2025-09-10 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural basis for mTORC1 activation on the lysosomal membrane.
Nature, 2025
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6YC5
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6RSY
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9ED8
 | | Intermediate state of mTOR on membrane | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTP-binding protein Rheb, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Cui, Z, Hurley, J. | | Deposit date: | 2024-11-16 | | Release date: | 2025-09-10 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Structural basis for mTORC1 activation on the lysosomal membrane.
Nature, 2025
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9MUT
 | | Reduced state of a turn-on thiol-disulfide redox biosensor with a fluorescence-lifetime readout | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | | Authors: | Rosen, P, Yellen, G, Lim, D.C. | | Deposit date: | 2025-01-14 | | Release date: | 2025-06-18 | | Last modified: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism and application of thiol-disulfide redox biosensors with a fluorescence-lifetime readout.
Proc.Natl.Acad.Sci.USA, 122, 2025
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6Y85
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