8QEF
 
 | | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand. | | Descriptor: | 1,2-ETHANEDIOL, Putative acetyl xylan esterase, beta-D-galactopyranuronic acid | | Authors: | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | | Deposit date: | 2023-08-31 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
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7QWK
 | | GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 2 | | Descriptor: | (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide, DIMETHYL SULFOXIDE, eIF-2-alpha kinase GCN2 | | Authors: | Maia de Oliveira, T. | | Deposit date: | 2022-01-25 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
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8SPV
 | | PS3 F1 Rotorless, no ATP | | Descriptor: | ATP synthase subunit alpha, ATP synthase subunit beta | | Authors: | Sobti, M, Stewart, A.G. | | Deposit date: | 2023-05-03 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | The series of conformational states adopted by rotorless F 1 -ATPase during its hydrolysis cycle.
Structure, 32, 2024
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7QRV
 | | Crystal structure of NHL domain of TRIM2 (full C-terminal) | | Descriptor: | 1,2-ETHANEDIOL, Tripartite motif-containing protein 2 | | Authors: | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-01-12 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
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7RYV
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8P1E
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. | | Descriptor: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | Deposit date: | 2023-05-11 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
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5NR2
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8HJY
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8VJ6
 | | GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 1 | | Descriptor: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, Isoform Flip of Glutamate receptor 2 | | Authors: | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | | Deposit date: | 2024-01-05 | | Release date: | 2024-06-05 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 31, 2024
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8HJZ
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8HJX
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7BR1
 | | Hydroxynitrile lyase from Parafontaria laminate complexed with benzaldehyde prepared by cocrystallization | | Descriptor: | 1,2-ETHANEDIOL, Hydroxynitrile lyase, THIOCYANATE ION, ... | | Authors: | Nuylert, A, Nakabayashi, M, Yamaguchi, T, Asano, Y. | | Deposit date: | 2020-03-26 | | Release date: | 2021-04-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Hydroxynitrile lyase from Parafonteria laminate complexed with benzaldehyde prepared by cocrystallization
To Be Published
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7SKL
 | | Complex between S. aureus aureolysin and IMPI mutant I57I | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, IMPI alpha, ... | | Authors: | Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-10-21 | | Release date: | 2022-01-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
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7SKM
 | | Complex between S. aureus aureolysin and wt IMPI. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-10-21 | | Release date: | 2022-01-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
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6I21
 | | Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | | Descriptor: | 1,2-ETHANEDIOL, Aureochrome1-like protein, CHLORIDE ION, ... | | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | | Deposit date: | 2018-10-31 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
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8OVQ
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7T1P
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8V7Z
 | | Phosphorylated, ATP-bound, E1371Q human cystic fibrosis transmembrane conductance regulator (E1371Q-CFTR) | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Gao, X, Hwang, T. | | Deposit date: | 2023-12-04 | | Release date: | 2024-07-17 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore.
Nat Commun, 15, 2024
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7QPA
 | | Outward-facing auxin bound form of auxin transporter PIN8 | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 8 | | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | Deposit date: | 2022-01-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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7QP9
 | | Outward-facing apo-form of auxin transporter PIN8 | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Auxin efflux carrier component 8 | | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | Deposit date: | 2022-01-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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8EM1
 | | Type IIS Restriction Endonuclease PaqCI, DNA Unbound | | Descriptor: | 1,2-ETHANEDIOL, PaqCI, DNA Unbound | | Authors: | Kennedy, M.A, Stoddard, B.L. | | Deposit date: | 2022-09-26 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI.
Nucleic Acids Res., 51, 2023
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7TGF
 | | Single-domain VHH intrabodies neutralize ricin toxin. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ricin chain A, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2022-01-07 | | Release date: | 2022-10-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.347 Å) | | Cite: | Single-domain antibodies neutralize ricin toxin intracellularly by blocking access to ribosomal P-stalk proteins.
J.Biol.Chem., 298, 2022
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8Y58
 | | Crystal structure of TRIM21 PRYSPRY (D355A) in complex with acepromazine. | | Descriptor: | 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE, E3 ubiquitin-protein ligase TRIM21, FORMIC ACID | | Authors: | Lu, P, Cheng, Y, Xue, L, Ren, X, Huang, N, Han, T. | | Deposit date: | 2024-01-31 | | Release date: | 2024-10-09 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective degradation of multimeric proteins by TRIM21-based molecular glue and PROTAC degraders.
Cell, 187, 2024
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7SQL
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with a weak small molecule inhibitor | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide, ... | | Authors: | Mashayekh, S, Stunkard, L.M, Kienle, M, Mathews, I.I, Khosla, C. | | Deposit date: | 2021-11-05 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Prototyping of Allosteric Inhibitors of Human Uridine/Cytidine Kinase 2 (UCK2).
Biochemistry, 61, 2022
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7TB1
 | | Crystal structure of STUB1 with a macrocyclic peptide | | Descriptor: | 1,3-bis(sulfanyl)propan-2-one, ALA-CYS-SER-SER-ILE-TRP-CYS-PRO-ASP-GLY, E3 ubiquitin-protein ligase CHIP | | Authors: | Bahmanjah, S, Klein, D.J. | | Deposit date: | 2021-12-21 | | Release date: | 2022-07-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1.
J.Med.Chem., 2022
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