8PIF
 
 | | Fragment 12 in complex with KLHDC2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(furan-3-yl)ethanoic acid, Kelch domain-containing protein 2 | | Authors: | Boettcher, J, Mayer, M. | | Deposit date: | 2023-06-21 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | KLHDC2 - The Next Level
To Be Published
|
|
8PFY
 | |
6W9U
 | | Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP | | Descriptor: | 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2020-03-23 | | Release date: | 2020-08-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
|
|
8U07
 | | Imine reductase RedE bound with NADP+ and arcyriaflavin A (secondary site) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ... | | Authors: | Daniel-Ivad, P, Ryan, K.S. | | Deposit date: | 2023-08-28 | | Release date: | 2024-09-04 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine.
J.Biol.Chem., 300, 2024
|
|
6MXS
 | | Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M] | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Shi, R, Picard, M.-E, Manenda, M.S. | | Deposit date: | 2018-10-31 | | Release date: | 2019-07-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
|
|
7SKR
 | | BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor 37 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide, ... | | Authors: | Durie, I, Shepard, J, Freitas, B, O'Boyle, B, Enos, S, Pegan, S.D. | | Deposit date: | 2021-10-21 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses.
Acs Infect Dis., 8, 2022
|
|
5MLE
 | | Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2 13-516) Mutant Y479E/Y499E | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dihydropyrimidinase-related protein 2, ... | | Authors: | Sethi, R, Zheng, Y, Talon, R, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F. | | Deposit date: | 2016-12-06 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
|
|
9GFL
 | | Crystal structure of ASO binding Fab fragment | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab fragment heavy chain, ... | | Authors: | Hsia, H.-E, Zanini, C, Simonneau, C, Fraidling, J, Kraft, T, Mayer, K, Sommer, A, Indlekofer, A, Wirth, T, Benz, J, Georges, G, Langer, L.M, Gassner, C, Larraillet, V, Manso, M, Ravn, J, Hofer, K, Emrich, T, Niewoehner, J, Schumacher, F, Brinkmann, U. | | Deposit date: | 2024-08-09 | | Release date: | 2025-08-20 | | Last modified: | 2025-11-12 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Improved targeted delivery of antisense oligonucleotide with an antibody mask.
Nucleic Acids Res., 53, 2025
|
|
9KBT
 | |
6N9Y
 | | Atomic structure of Non-Structural protein 1 of bluetongue virus | | Descriptor: | Non-structural protein 1 | | Authors: | Kerviel, A, Ge, P, Lai, M, Jih, J, Boyce, M, Zhang, X, Zhou, Z.H, Roy, P. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Atomic structure of the translation regulatory protein NS1 of bluetongue virus.
Nat Microbiol, 4, 2019
|
|
6Q0U
 | | Structure of the Erbin PDZ variant E-6a with a high-affinity C-terminal peptide | | Descriptor: | 1,2-ETHANEDIOL, Erbin, peptide | | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2019-08-02 | | Release date: | 2019-11-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
|
|
7B41
 | | Crystal structure of c-MET bound by compound 7 | | Descriptor: | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
|
|
7V1A
 | | Stapled TBS peptide from RIAM bound to talin R7R8 domains | | Descriptor: | 1,2-ETHANEDIOL, ASP-ILE-ASP-GLN-MET-PHE-SER-THR-LEU-LEU-GLY-GLU-MK8-ASP-LEU-LEU-MK8-GLN-SER, Talin-1 | | Authors: | Zhang, P, Gao, T, Wu, J. | | Deposit date: | 2022-05-11 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Inhibition of talin-induced integrin activation by a double-hit stapled peptide.
Structure, 31, 2023
|
|
7Q6T
 | | Crystal structure of the bromodomain of ATAD2 with AZ13824374 | | Descriptor: | (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Patel, S.J, Winter-Holt, J.J. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
|
|
6PT4
 | | Crystal structure of apo PsS1_NC | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hettle, A.G, Boraston, A.B. | | Deposit date: | 2019-07-14 | | Release date: | 2019-09-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
|
|
7Q6W
 | | Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) | | Descriptor: | (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Patel, S.J, Winter-Holt, J.J. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
|
|
8ZN2
 | | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.65 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ... | | Authors: | Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.65 A resolution.
To Be Published
|
|
8ZN3
 | | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ... | | Authors: | Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
To Be Published
|
|
6Y10
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
|
|
8TFD
 | | Crystal structure of a stem-loop DNA aptamer complexed with SARS-CoV-2 nucleocapsid protein RNA-binding domain | | Descriptor: | 1,2-ETHANEDIOL, DNA aptamer, Nucleoprotein | | Authors: | Esler, M, Belica, C, Shi, K, Aihara, H. | | Deposit date: | 2023-07-10 | | Release date: | 2024-11-13 | | Last modified: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A compact stem-loop DNA aptamer targets a uracil-binding pocket in the SARS-CoV-2 nucleocapsid RNA-binding domain.
Nucleic Acids Res., 52, 2024
|
|
7SL7
 | |
9KN7
 | | Crystal structure of Horse spleen L-ferritin mutant (Fr-E53F/E56F/E57F/R59L/E60F/E63F) | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Suzuki, T, Hishikawa, Y, Maity, B, Abe, S, Ueno, T. | | Deposit date: | 2024-11-18 | | Release date: | 2025-03-05 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design of Aromatic Interaction Networks in a Protein Cage Modulated by Fluorescent Ligand Binding.
Adv Sci, 12, 2025
|
|
8G3F
 | | BceAB-S nucleotide free BceS state 1 | | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ... | | Authors: | George, N.L, Orlando, B.J. | | Deposit date: | 2023-02-07 | | Release date: | 2023-06-21 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
|
|
7AIA
 | | Complex of human GDAP1 with hexadecanedioic acid | | Descriptor: | ETHANOL, GLYCEROL, Ganglioside-induced differentiation-associated protein 1, ... | | Authors: | Nguyen, G.T.T, Sutinen, A, Kursula, P. | | Deposit date: | 2020-09-26 | | Release date: | 2021-02-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020
|
|
6H27
 | | Structure of S70C BlaC from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, BlaC | | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | | Deposit date: | 2018-07-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
|
|
