8UUY
 
 | | SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129 | | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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6MHE
 | | Galphai3 co-crystallized with KB752 | | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, ... | | Authors: | Rees, S.D, Kalogriopoulos, N.A, Ngo, T, Kopcho, N, Ilatovskiy, A, Sun, N, Komives, E, Chang, G, Ghosh, P, Kufareva, I. | | Deposit date: | 2018-09-17 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for GPCR-independent activation of heterotrimeric Gi proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8UQZ
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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6GQF
 | | The structure of mouse AsterA (GramD1a) with 25-hydroxy cholesterol | | Descriptor: | 25-HYDROXYCHOLESTEROL, GLYCEROL, GRAM domain-containing protein 1A | | Authors: | Fairall, L, Gurnett, J.E, Vashi, D, Sandhu, J, Tontonoz, P, Schwabe, J.W.R. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Aster Proteins Facilitate Nonvesicular Plasma Membrane to ER Cholesterol Transport in Mammalian Cells.
Cell, 175, 2018
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8UUU
 | | SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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6TXC
 | | Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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721P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | Deposit date: | 1991-06-06 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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6SD4
 | | Structure of the RBM3/collar region of the Salmonella flagella MS-ring protein FliF with 34-fold symmetry applied | | Descriptor: | Flagellar M-ring protein | | Authors: | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | | Deposit date: | 2019-07-26 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation.
Nat Microbiol, 5, 2020
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6GRH
 | | E. coli Microcin synthetase McbBCD complex with truncated pro-MccB17 bound | | Descriptor: | 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ... | | Authors: | Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2018-06-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
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8E5F
 | | Cryo-EM of P. calidifontis cytochrome filament | | Descriptor: | HEME C, c-type cytochrome | | Authors: | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | | Deposit date: | 2022-08-22 | | Release date: | 2023-05-10 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes.
Cell, 186, 2023
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7TOS
 | | E. coli 70S ribosomes bound with the ALS/FTD-associated dipeptide repeat protein PR20 | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A. | | Deposit date: | 2022-01-24 | | Release date: | 2022-05-25 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
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6SGA
 | | Body domain of the mt-SSU assemblosome from Trypanosoma brucei | | Descriptor: | 9S rRNA, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2019-08-03 | | Release date: | 2019-09-18 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
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6MKS
 | | Cryo-EM structure of NLRC4-CARD filament | | Descriptor: | Chimera protein of NLR family CARD domain-containing protein 4 and EGFP | | Authors: | Zheng, W, Matyszewski, M, Sohn, J, Egelman, E.H. | | Deposit date: | 2018-09-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the NLRC4CARDfilament provides insights into how symmetric and asymmetric supramolecular structures drive inflammasome assembly.
J. Biol. Chem., 293, 2018
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8UQX
 | | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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6GV0
 | | Insulin glulisine | | Descriptor: | FORMIC ACID, Insulin, ZINC ION | | Authors: | Chayen, N.E, Helliwell, J.R, Solomon-Gamsu, H.V, Govada, L, Morgan, M, Gillis, R.B, Adams, G. | | Deposit date: | 2018-06-20 | | Release date: | 2019-07-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Analysis of insulin glulisine at the molecular level by X-ray crystallography and biophysical techniques.
Sci Rep, 11, 2021
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8UVM
 | | SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313 | | Descriptor: | CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ... | | Authors: | Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-03 | | Release date: | 2024-04-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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6MH7
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2018-09-17 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
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6MHH
 | | Proteus mirabilis ScsC linker (residues 39-49) deletion and N6K mutant | | Descriptor: | Metal resistance protein | | Authors: | Furlong, E.J, Martin, J.L. | | Deposit date: | 2018-09-17 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.083 Å) | | Cite: | Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.
Acta Crystallogr D Struct Biol, 75, 2019
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8UQY
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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8UUV
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197 | | Descriptor: | CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ... | | Authors: | Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8BSM
 | | Human GLS in complex with compound 18 | | Descriptor: | 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.782 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
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6MJ1
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8BSK
 | | Human GLS in complex with compound 3 | | Descriptor: | Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
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5NBD
 | | PglK flippase in complex with inhibitory nanobody | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nanobody, WlaB protein | | Authors: | Perez, C, Pardon, E, Steyaert, J, Locher, K.P. | | Deposit date: | 2017-03-01 | | Release date: | 2017-05-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural basis of inhibition of lipid-linked oligosaccharide flippase PglK by a conformational nanobody.
Sci Rep, 7, 2017
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8DST
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