6Y1C
 
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-11 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
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5H5K
 | | ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2016-11-06 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
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9JGG
 | | Solution structure of Murinotoxin-1 | | Descriptor: | Murinotoxin-1 | | Authors: | Lushpa, V.A, Kuzmenkov, A.I, Deyev, Y.A, Iunusova, V.A, Bocharov, E.V, Vassilevski, A.A. | | Deposit date: | 2024-09-07 | | Release date: | 2025-09-10 | | Last modified: | 2025-10-29 | | Method: | SOLUTION NMR | | Cite: | Spider venom peptides with unique fold selectively block Shaker-type potassium channels.
Cell.Mol.Life Sci., 82, 2025
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7P73
 | | The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 | | Descriptor: | CALCIUM ION, GLYCEROL, Protein Tax-1, ... | | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | | Deposit date: | 2021-07-19 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
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5GWK
 | | Human topoisomerase IIalpha in complex with DNA and etoposide | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Wang, Y.R, Wu, C.C, Chan, N.L. | | Deposit date: | 2016-09-12 | | Release date: | 2017-08-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.152 Å) | | Cite: | Producing irreversible topoisomerase II-mediated DNA breaks by site-specific Pt(II)-methionine coordination chemistry
Nucleic Acids Res., 45, 2017
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7P74
 | | The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ-binding motif of RSK1 | | Descriptor: | CALCIUM ION, GLYCEROL, Ribosomal protein S6 kinase alpha-1, ... | | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | | Deposit date: | 2021-07-19 | | Release date: | 2022-07-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
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5G4A
 | | AadA in complex with ATP and magnesium | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside (3'') (9) adenylyltransferase, ... | | Authors: | Stern, A.L, van der Verren, S, Selmer, M. | | Deposit date: | 2016-05-07 | | Release date: | 2017-11-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
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9JCD
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9FSW
 | | ClpP from Staphylococcus epidermidis with glycerol in some of the catalytic sites. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, GLYCEROL | | Authors: | Alves Franca, B, Rohde, H, Betzel, C. | | Deposit date: | 2024-06-22 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Molecular insights into the dynamic modulation of bacterial ClpP function and oligomerization by peptidomimetic boronate compounds.
Sci Rep, 14, 2024
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7SDR
 | | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-09-29 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor
To be Published
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9JCG
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8AX2
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7AK0
 | | Human MALT1(329-729) in complex with a chromane urea containing inhibitor | | Descriptor: | 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Renatus, M. | | Deposit date: | 2020-09-29 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.316 Å) | | Cite: | Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing.
J.Med.Chem., 63, 2020
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8AY0
 | | Crystal Structure of the peptide binding protein DppE from Bacillus subtilis in complex with murein tripeptide | | Descriptor: | 1,2-ETHANEDIOL, Dipeptide-binding protein DppE, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ... | | Authors: | Hughes, A.M, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2022-09-01 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE.
Microbiology (Reading, Engl.), 168, 2022
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9JCJ
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6E99
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8OZ1
 | | CjCel5D endo-xyloglucanase bounc to CB665 covalent inhibitor | | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, BORIC ACID, Cellulase, ... | | Authors: | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2023-05-06 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
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8G8V
 | | GTP Cyclohydrolase-IB with sodium | | Descriptor: | 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, SODIUM ION, ... | | Authors: | McWhorter, K.L, Jhunjhunwala, R, Davis, K.M. | | Deposit date: | 2023-02-20 | | Release date: | 2024-02-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Combatting melioidosis with chemical synthetic lethality.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7PA2
 | | PARK7 with inhibitor 8RK64 | | Descriptor: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 | | Authors: | Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
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7PA3
 | | PARK7 with covalent inhibitor JYQ-88 | | Descriptor: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 | | Authors: | Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
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8WB3
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7P9W
 | | Epstein-Barr virus encoded apoptosis regulator BHRF1 in complex with Puma BH3 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, AMMONIUM ION, ... | | Authors: | Suraweera, C.D, Hinds, M.G, Kvansakul, M. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.00010061 Å) | | Cite: | Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides.
Viruses, 14, 2022
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9J99
 | | Substrate-engaged TOM complex from yeast | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ... | | Authors: | Yang, Y.Q, Wang, G.P. | | Deposit date: | 2024-08-22 | | Release date: | 2025-09-10 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Substrate-engaged TOM complex from yeast
To Be Published
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4YOD
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8TGF
 | | Crystal structure of cEPG5 LIR/LGG-1 complex | | Descriptor: | ACETATE ION, Ectopic P granules protein 5, Protein lgg-1 | | Authors: | Cheung, Y.W.S, Yip, C.K. | | Deposit date: | 2023-07-12 | | Release date: | 2024-07-17 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the human autophagy factor EPG5 and the molecular basis of its conserved mode of interaction with Atg8-family proteins.
Autophagy, 21, 2025
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