5LZJ
 
 | | Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237 | | Descriptor: | (~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, Cholera enterotoxin subunit B, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Heggelund, J.E, Krengel, U. | | Deposit date: | 2016-09-29 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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5LTS
 | | Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease Mutant D118A | | Descriptor: | CHLORIDE ION, GLYCEROL, RNA-directed RNA polymerase L, ... | | Authors: | Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F. | | Deposit date: | 2016-09-07 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structures ofLymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands.
IUCrJ, 5, 2018
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5LTY
 | | Homeobox transcription factor CDX2 bound to methylated DNA | | Descriptor: | DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | | Authors: | Morgunova, E, Popov, A, Taipale, J. | | Deposit date: | 2016-09-07 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
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7BOA
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5LU8
 | | CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B | | Descriptor: | 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ... | | Authors: | Dall, E, Ye, K, Brandstetter, H. | | Deposit date: | 2016-09-08 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
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7BBM
 | | Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260 | | Authors: | Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G. | | Deposit date: | 2020-12-18 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021
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5LUC
 | | Crystal structure of the D183N variant of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.8 Angstrom; internal aldimine with PLP in the active site | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | | Authors: | Giardina, G, Cutruzzola, F, Cellini, B, Borri Voltattorni, C, Montioli, R. | | Deposit date: | 2016-09-08 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
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6UFQ
 | | Crystal structure of D678N GoxA bound to glycine | | Descriptor: | GLYCINE, Glycine Oxidase GoxA, MAGNESIUM ION | | Authors: | Yukl, E.T. | | Deposit date: | 2019-09-24 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase.
J.Biol.Chem., 294, 2019
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5LVJ
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7BAJ
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6UFI
 | | W96Y Oxalate Decarboxylase (Bacillus subtilis) | | Descriptor: | CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ... | | Authors: | Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A. | | Deposit date: | 2019-09-24 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021
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5LWV
 | | Human OGT in complex with UDP and fused substrate peptide (HCF1) | | Descriptor: | GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ... | | Authors: | Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D. | | Deposit date: | 2016-09-19 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
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6UFT
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6RUU
 | | Pseudokinase domain of human IRAK3 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 3, MERCURY (II) ION, ... | | Authors: | Lange, S.M, Kulathu, Y, Cohen, P. | | Deposit date: | 2019-05-29 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Dimeric Structure of the Pseudokinase IRAK3 Suggests an Allosteric Mechanism for Negative Regulation.
Structure, 29, 2021
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5LXN
 | | Coiled-coil protein | | Descriptor: | SULFATE ION, TRIETHYLENE GLYCOL, Transforming acidic coiled-coil-containing protein 3 | | Authors: | Thiyagarajan, N, Bunney, T.D, Katan, M. | | Deposit date: | 2016-09-22 | | Release date: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Coiled-coil protein
To Be Published
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7BAK
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5LYN
 | | Structure of the Tpr Domain of Sgt2 in complex with yeast Ssa1 peptide fragment | | Descriptor: | PRO-THR-VAL-GLU-GLU-VAL-ASP, Small glutamine-rich tetratricopeptide repeat-containing protein 2, ZINC ION | | Authors: | Krysztofinska, E.M, Evans, N.J, Thapaliya, A, Murray, J.W, Morgan, R.M.L, Martinez-Lumbreras, S, Isaacson, R.L. | | Deposit date: | 2016-09-28 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
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7BAL
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6RVM
 | | Cell division protein FtsZ from Staphylococcus aureus, apo form | | Descriptor: | CHLORIDE ION, Cell division protein FtsZ, GLYCEROL, ... | | Authors: | Fernandez-Tornero, C, Andreu, J.M, Canosa-Valls, A.J. | | Deposit date: | 2019-05-31 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.155 Å) | | Cite: | Nucleotide-induced folding of cell division protein FtsZ from Staphylococcus aureus.
Febs J., 287, 2020
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6RW3
 | | The molecular basis for sugar import in malaria parasites. | | Descriptor: | Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose | | Authors: | Qureshi, A, Matsuoka, R, Brock, J, Drew, D. | | Deposit date: | 2019-06-03 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | The molecular basis for sugar import in malaria parasites.
Nature, 578, 2020
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6RGA
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor | | Descriptor: | (2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1 | | Authors: | Gelin, M, Labesse, G. | | Deposit date: | 2019-04-16 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
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6RGB
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1 | | Authors: | Gelin, M, Labesse, G. | | Deposit date: | 2019-04-16 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
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7BJL
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142 | | Descriptor: | 14-3-3 protein sigma, 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde, Transcription factor p65 | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-01-14 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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6RWU
 | | Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RX3
 | | Crystal structure of human syncytin 2 in post-fusion conformation | | Descriptor: | CHLORIDE ION, Syncytin-2 | | Authors: | Ruigrok, K, Backovic, M, Vaney, M.C, Rey, F.A. | | Deposit date: | 2019-06-07 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications.
J.Mol.Biol., 431, 2019
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