5WQW
 
 | | X-ray structure of catalytic domain of autolysin from Clostridium perfringens | | Descriptor: | 1,2-ETHANEDIOL, N-acetylglucosaminidase | | Authors: | Tamai, E, Sekiya, H, Goda, E, Makihata, N, Maki, J, Yoshida, H, Kamitori, S. | | Deposit date: | 2016-11-29 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and biochemical characterization of the Clostridium perfringens autolysin catalytic domain
FEBS Lett., 591, 2017
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6QB6
 | | Mcl1 in complex with a Fab | | Descriptor: | Fab Heavy Chain, Fab Light Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Hargreaves, D. | | Deposit date: | 2018-12-20 | | Release date: | 2019-11-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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4WJ5
 | | Structure of HLA-A2 in complex with an altered peptide ligands based on Mart-1 variant epitope | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Celie, P.H.N, Rodenko, B, Ovaa, H. | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Altered Peptide Ligands Revisited: Vaccine Design through Chemically Modified HLA-A2-Restricted T Cell Epitopes.
J Immunol., 193, 2014
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8T7Q
 | | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | | Descriptor: | 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
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8CME
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ... | | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | | Deposit date: | 2023-02-19 | | Release date: | 2023-07-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
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4WIC
 | | Immediate-early 1 protein (IE1) of rhesus macaque cytomegalovirus | | Descriptor: | RhUL123 | | Authors: | Klingl, S, Scherer, M, Sevvana, M, Muller, Y.A, Stamminger, T. | | Deposit date: | 2014-09-25 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Controlled crystal dehydration triggers a space-group switch and shapes the tertiary structure of cytomegalovirus immediate-early 1 (IE1) protein.
Acta Crystallogr.,Sect.D, 71, 2015
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8CMD
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S761-775 | | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | | Deposit date: | 2023-02-19 | | Release date: | 2023-07-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
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8QOU
 | | Reactive intermediate deaminase A mutant - R107K | | Descriptor: | 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S. | | Deposit date: | 2023-09-29 | | Release date: | 2024-07-10 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Site-directed mutagenesis reveals the interplay between stability, structure, and enzymatic activity in RidA from Capra hircus.
Protein Sci., 33, 2024
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4ZIE
 | | Crystal Structure of core/latch dimer of Bax in complex with BimBH3 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2-like protein 11 | | Authors: | Krishna Kumar, K, Robin, A.Y, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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7QIY
 | | Specific features and methylation sites of a plant ribosome. 40S head ribosomal subunit. | | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA head, 40S head ribosomal protein eS19, ... | | Authors: | Cottilli, P, Itoh, Y, Amunts, A. | | Deposit date: | 2021-12-16 | | Release date: | 2022-06-15 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Cryo-EM structure and rRNA modification sites of a plant ribosome.
Plant Commun., 3, 2022
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6PXU
 | | Crystal structure of human GalNAc-T12 bound to a diglycosylated peptide, Mn2+, and UDP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, GAGATGAGAGYYITPRTGAGA, ... | | Authors: | Samara, N.L, Fernandez, A.J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-09-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.007 Å) | | Cite: | The structure of the colorectal cancer-associated enzyme GalNAc-T12 reveals how nonconserved residues dictate its function.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6Q39
 | | Complex of Arginase 2 with Example 49 | | Descriptor: | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, mitochondrial, ... | | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | | Deposit date: | 2018-12-03 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.213 Å) | | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II.
J.Med.Chem., 62, 2019
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6YJX
 | | Structure of Hen egg-white lysozyme crystallized with PAS polypeptide | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Schiefner, A, Skerra, A. | | Deposit date: | 2020-04-05 | | Release date: | 2020-07-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization.
Acta Crystallogr.,Sect.F, 76, 2020
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5WJG
 | | Using sound pulses to solve the crystal harvesting bottleneck | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, L(+)-TARTARIC ACID, ... | | Authors: | Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L. | | Deposit date: | 2017-07-22 | | Release date: | 2017-08-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
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8T93
 | | Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-L-(1,2,3,4)-IP4 | | Descriptor: | (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[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 (1.95 Å) | | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
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9C3F
 | | Cryo-EM structure of E. coli AmpG | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Anhydromuropeptide permease,Soluble cytochrome b562, DODECYL-BETA-D-MALTOSIDE | | Authors: | Sverak, H, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2024-05-31 | | Release date: | 2024-12-18 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Cryo-EM characterization of the anydromuropeptide permease AmpG central to bacterial fitness and beta-lactam antibiotic resistance.
Nat Commun, 15, 2024
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6QA6
 | | Glycogen Phosphorylase b in complex with 30 | | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
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7R6B
 | | Crystal structure of mutant R43D/L124D/R125A/C273S of L-Asparaginase I from Yersinia pestis | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, L-asparaginase I | | Authors: | Strzelczyk, P, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2021-06-22 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The dimeric form of bacterial l-asparaginase YpAI is fully active.
Febs J., 290, 2023
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6QB3
 | | Apo Mcl1 in a complex with a scFv | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | | Authors: | Kazmirski, S, Hargreaves, D. | | Deposit date: | 2018-12-20 | | Release date: | 2019-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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7OOK
 | | Bacteriophage PRD1 Major Capsid Protein P3 in complex with CPZ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CHLORIDE ION, ... | | Authors: | Duyvesteyn, H.M.E, Peccati, F, Martinez-Castillo, A, Jimenez-Oses, G, Oksanen, H.M, Stuart, D.I, Abrescia, N.G.A. | | Deposit date: | 2021-05-27 | | Release date: | 2022-06-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Bacteriophage PRD1 as a nanoscaffold for drug loading
Nanoscale, 13, 2021
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8OIJ
 | | Drosophila Smaug-Smoothened complex | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Protein Smaug, ... | | Authors: | Ubartaite, G, Kubikova, J, Jeske, M. | | Deposit date: | 2023-03-23 | | Release date: | 2023-06-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for binding of Drosophila Smaug to the GPCR Smoothened and to the germline inducer Oskar.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8VLK
 | | Crystal structure of the yeast cytosine deaminase containing both open and closed active sites | | Descriptor: | 1,2-ETHANEDIOL, Cytosine deaminase, SULFATE ION, ... | | Authors: | Picard, M.-E, Grenier, J, Despres, P.C, Dube, A.K, Landry, C.R, Shi, R. | | Deposit date: | 2024-01-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Compensatory mutations potentiate constructive neutral evolution by gene duplication.
Science, 385, 2024
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8E00
 | | Symmetry expansion of yeast cytoplasmic dynein-1 bound to Lis1 in the chi conformation. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ... | | Authors: | Reimer, J.M, Lahiri, I, Leschziner, A.E. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-30 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Lis1 relieves cytoplasmic dynein-1 autoinhibition by acting as a molecular wedge.
Nat.Struct.Mol.Biol., 30, 2023
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6PZ7
 | | GH5-4 broad specificity endoglucanase from Clostridium acetobutylicum | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Endoglucanase family 5 | | Authors: | Bianchetti, C.M, Bingman, C.A, Fox, B.G. | | Deposit date: | 2019-07-31 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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8E5H
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