8HAW
 
 | | An auto-activation mechanism of plant non-specific phospholipase C | | Descriptor: | CALCIUM ION, GLYCEROL, Non-specific phospholipase C4, ... | | Authors: | Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P. | | Deposit date: | 2022-10-26 | | Release date: | 2023-01-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C.
Nat Commun, 14, 2023
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7SU6
 | | DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase | | Authors: | Bourne, C.R. | | Deposit date: | 2021-11-16 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin
To Be Published
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7Z0Q
 | | MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange | | Descriptor: | 1,2-ETHANEDIOL, CLIP peptide, HLA class II histocompatibility antigen, ... | | Authors: | Roske, Y, Abualrous, E.T, Freund, C. | | Deposit date: | 2022-02-23 | | Release date: | 2023-03-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange.
Nat.Chem.Biol., 19, 2023
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9OJN
 | | Structure of Mycobacterium smegmatis EtfD | | Descriptor: | 1,3,5,7-tetrathia-2$l^{2},4$l^{4},6$l^{2}-triferraspiro[3.3]heptane, DODECYL-BETA-D-MALTOSIDE, IRON/SULFUR CLUSTER, ... | | Authors: | Courbon, G.M, Rubinstein, J.L. | | Deposit date: | 2025-05-08 | | Release date: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mycobacterial EtfD contains an unusual linear [3Fe-4S] cluster and enables beta oxidation to drive proton pumping by the electron transport chain
To Be Published
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5MEP
 | | Human Leukocyte Antigen A02 presenting ILGKFLHWL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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7Z0I
 | | human PEX13 SH3 domain | | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13, ZINC ION | | Authors: | Gaussmann, S, Zak, K, Sattler, M. | | Deposit date: | 2022-02-23 | | Release date: | 2023-03-08 | | Last modified: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Modulation of peroxisomal import by the PEX13 SH3 domain and a proximal FxxxF binding motif.
Nat Commun, 15, 2024
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6VB1
 | | HLA-B*15:02 complexed with a synthetic peptide | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | | Deposit date: | 2019-12-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | HLA-B*15:02 complexed with a synthetic peptide
To Be Published
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6VB7
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8CL6
 | | Lysozyme in matrix of hydroxyethylcellulose (HEC) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ... | | Authors: | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | | Deposit date: | 2023-02-16 | | Release date: | 2023-12-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
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8CL5
 | | Lysozyme in matrix of lipidic cubic phase of monoolein (LCP) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ... | | Authors: | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | | Deposit date: | 2023-02-16 | | Release date: | 2023-12-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
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8CN7
 | | Pa.FabF-C164Q in complex with platencin | | Descriptor: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE | | Authors: | Georgiou, C, Brenk, R. | | Deposit date: | 2023-02-22 | | Release date: | 2024-01-10 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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6DQ3
 | | Streptococcus pyogenes deacetylase PplD in complex with acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, IMIDAZOLE, ... | | Authors: | Li, J, Korotkova, N, Korotkov, K.V. | | Deposit date: | 2018-06-10 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | PplD is a de-N-acetylase of the cell wall linkage unit of streptococcal rhamnopolysaccharides
Nat Commun, 13, 2022
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8XVR
 | | Crystal structure of inulosucrase from Lactobacillus reuteri 121 mutant R544W | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ni, D, Hou, X, Cheng, M, Xu, W, Rao, Y, Mu, W. | | Deposit date: | 2024-01-15 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structure-guided tunnel engineering to reveal the molecular basis of sugar chain extension of inulosucrase
To Be Published
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8EZF
 | | A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase R98A/R100A variant | | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
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6Y66
 | | Structure of Goose Hemorrhagic Polyomavirus VP1 in complex with 2-O-Methyl-5-N-acetyl-alpha-D-neuraminic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, Capsid protein VP1, ... | | Authors: | Stroh, L.J, Rustmeier, N.H, Stehle, T. | | Deposit date: | 2020-02-26 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family.
Mbio, 11, 2020
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8CN2
 | | Pa.FabF-C164Q in complex with N-isobutyl-1H-pyrazole-3-carboxamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide | | Authors: | Georgiou, C, Brenk, R. | | Deposit date: | 2023-02-21 | | Release date: | 2024-01-10 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
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4QHT
 | | Crystal structure of AAA+/ sigma 54 activator domain of the flagellar regulatory protein FlrC from Vibrio cholerae in ATP analog bound state | | Descriptor: | 1,2-ETHANEDIOL, Flagellar regulatory protein C, MAGNESIUM ION, ... | | Authors: | Dey, S, Biswas, M, Sen, U, Dasgupta, J. | | Deposit date: | 2014-05-29 | | Release date: | 2014-07-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.559 Å) | | Cite: | Unique ATPase site architecture triggers cis-mediated synchronized ATP binding in heptameric AAA+-ATPase domain of flagellar regulatory protein FlrC
J.Biol.Chem., 290, 2015
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4WFA
 | | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with linezolid | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E. | | Deposit date: | 2014-09-14 | | Release date: | 2015-10-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.392 Å) | | Cite: | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8CAW
 | | PBP AccA from A. tumefaciens Bo542 in complex with agrocin84 | | Descriptor: | 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid, ... | | Authors: | Morera, S, Vigouroux, A, El Sahili, A. | | Deposit date: | 2023-01-24 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.256 Å) | | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
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8T8Z
 | | Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and myo-(1OH)IP5 | | Descriptor: | (1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ... | | Authors: | Zong, G, Wang, H, Shears, S.B. | | Deposit date: | 2023-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
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8F0W
 | | Tudor Domain of Tumor suppressor p53BP1 with MFP-5956 | | Descriptor: | 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one, TP53-binding protein 1, UNKNOWN ATOM OR ION | | Authors: | The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-04 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Tudor Domain of Tumor suppressor p53BP1 with MFP-5956
to be published
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8XSD
 | | BA.5 Spike complex with CR9 | | Descriptor: | CR9 heavy chain, CR9 light chain, Spike glycoprotein | | Authors: | Feng, L.L. | | Deposit date: | 2024-01-09 | | Release date: | 2025-02-12 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | A broadly neutralizing antibody against the SARS-CoV-2 Omicron sub-variants BA.1, BA.2, BA.2.12.1, BA.4, and BA.5.
Signal Transduct Target Ther, 10, 2025
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8F55
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with inhibitor SGT1614 | | Descriptor: | (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F57
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1615 | | Descriptor: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-12 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8QSB
 | | Ternary structure of 14-3-3s, ARAF phosphopeptide (pS214) and compound 86 (1124384). | | Descriptor: | 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone, 14-3-3 protein sigma, ARAF peptide pS214, ... | | Authors: | Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R. | | Deposit date: | 2023-10-10 | | Release date: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
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