6UZN
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4R83
| Crystal structure of Sialyltransferase from Photobacterium damsela | Descriptor: | CALCIUM ION, Sialyltransferase 0160 | Authors: | Fisher, A.J, Chen, X, Li, Y, Huynh, N. | Deposit date: | 2014-08-29 | Release date: | 2014-12-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structures of sialyltransferase from Photobacterium damselae. Febs Lett., 588, 2014
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6M8Z
| Crystal structure of human DJ-1 without a modification on Cys-106 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Shumilin, I.A, Shabalin, I.G, Shumilina, S.V, Werenskjold, C, Utepbergenov, D, Minor, W. | Deposit date: | 2018-08-22 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1. Biochem. Biophys. Res. Commun., 504, 2018
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3LT5
| X-ray Crystallographic structure of a Pseudomonas Aeruginosa Azoreductase in complex with balsalazide | Descriptor: | (3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ... | Authors: | Ryan, A, Laurieri, N, Westwood, I, Wang, C.-J, Lowe, E, Sim, E. | Deposit date: | 2010-02-15 | Release date: | 2010-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Novel Mechanism for Azoreduction J.Mol.Biol., 400, 2010
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5MLY
| Closed loop conformation of PhaZ7 Y105E mutant | Descriptor: | PHB depolymerase PhaZ7 | Authors: | Kellici, T, Mavromoustakos, T, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2016-12-08 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase. Proteins, 85, 2017
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7R4Q
| The SARS-CoV-2 spike in complex with the 1.29 neutralizing nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.29, ... | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | Deposit date: | 2022-02-09 | Release date: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron. Front Immunol, 13, 2022
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8QJ8
| Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | Descriptor: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.538 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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5FYB
| Crystal structure of the catalytic domain of human JARID1B in complex with MC1648 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Nowak, R, Srikannathasan, V, Rotili, D, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-03-05 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc1648 To be Published
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3L7I
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8QB8
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5MNH
| Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNO
| Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K) | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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8OEG
| PDE4B bound to MAPI compound 92a | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ... | Authors: | Rizzi, A, Armani, E. | Deposit date: | 2023-03-10 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD. J.Med.Chem., 66, 2023
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4R17
| Ligand-induced aziridine-formation at subunit beta5 of the yeast 20S proteasome | Descriptor: | (2S,3S)-3-methylaziridine-2-carboxylic acid, MAGNESIUM ION, Proteasome subunit alpha type-1, ... | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | Deposit date: | 2014-08-04 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site. Angew.Chem.Int.Ed.Engl., 53, 2014
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3L76
| Crystal Structure of Aspartate Kinase from Synechocystis | Descriptor: | Aspartokinase, LYSINE, SULFATE ION, ... | Authors: | Robin, A, Cobessi, D, Curien, G, Robert-Genthon, M, Ferrer, J.-L, Dumas, R. | Deposit date: | 2009-12-28 | Release date: | 2010-06-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | A new mode of dimerization of allosteric enzymes with ACT domains revealed by the crystal structure of the aspartate kinase from Cyanobacteria J.Mol.Biol., 399, 2010
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7ON7
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5MOQ
| Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.93 Å), X-RAY DIFFRACTION | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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7M8W
| XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 | Descriptor: | 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ... | Authors: | Shiriaeva, A, Han, G.W, Cherezov, V. | Deposit date: | 2021-03-30 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2. Proc.Natl.Acad.Sci.USA, 118, 2021
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5MPH
| Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | Descriptor: | Grainyhead-like protein 1 homolog, IODIDE ION | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.337 Å) | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. Nucleic Acids Res., 46, 2018
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8OEP
| Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide | Descriptor: | Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-11 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity. Front Mol Biosci, 10, 2023
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5MPM
| SERCA2a from pig heart | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Drachmann, N.D, Sitsel, A, Andersen, J.L, Nissen, P, Olesen, C. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of the heart specific SERCA2a Ca2+-ATPase. Embo J., 38, 2019
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8AFY
| Subtomogram average of membrane-bound Atg18 oligomers | Descriptor: | Autophagy-related protein 18 | Authors: | Mann, D, Fromm, S, Martinez-Sanchez, A, Gopaldass, N, Mayer, A, Sachse, C. | Deposit date: | 2022-07-18 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (26 Å) | Cite: | Atg18 oligomer organization in assembled tubes and on lipid membrane scaffolds. Nat Commun, 14, 2023
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8GCC
| T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor CT1 | Descriptor: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one, DNA (28-MER), DNA topoisomerase 2 | Authors: | Schenk, A, Deniston, C, Noeske, J. | Deposit date: | 2023-03-01 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Cyanotriazoles are selective topoisomerase II poisons that rapidly cure trypanosome infections. Science, 380, 2023
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6ZVR
| C11 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | Descriptor: | Vipp1 | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | Deposit date: | 2020-07-27 | Release date: | 2021-08-04 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. Cell, 184, 2021
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6ZW4
| C14 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | Descriptor: | vipp1 | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | Deposit date: | 2020-07-27 | Release date: | 2021-08-04 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. Cell, 184, 2021
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