9DRH
 
 | | Crystal structure of Tet(X7) bound to anhydrotetracycline C10-benzoate ester | | Descriptor: | (6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-8,10a,12-trihydroxy-5-methyl-10,11-dioxo-6,6a,7,10,10a,11-hexahydrotetracen-1-yl pyrimidine-2-carboxylate, FLAVIN-ADENINE DINUCLEOTIDE, Tet(X7) | | Authors: | Tang, W.K, Tolia, N.H. | | Deposit date: | 2024-09-25 | | Release date: | 2025-03-05 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | C10-Benzoate Esters of Anhydrotetracycline Inhibit Tetracycline Destructases and Recover Tetracycline Antibacterial Activity.
Acs Infect Dis., 11, 2025
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5YPJ
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4IS9
 | | Crystal Structure of the Escherichia coli LpxC/L-161,240 complex | | Descriptor: | (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ... | | Authors: | Lee, C.-J, Zhou, P. | | Deposit date: | 2013-01-16 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
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6UBS
 | | Full length Glycine receptor reconstituted in lipid nanodisc in Apo/Resting conformation | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, ... | | Authors: | Kumar, A, Basak, S, Chakrapani, S. | | Deposit date: | 2019-09-12 | | Release date: | 2020-07-29 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
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6LI5
 | | Crystal structure of apo-MCR-1-S | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1 | | Authors: | Zhang, Q, Wang, M, Sun, H. | | Deposit date: | 2019-12-10 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
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3R4K
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8TGX
 | | Crystal structure of C. elegans LGG-1 | | Descriptor: | CHLORIDE ION, Protein lgg-1 | | Authors: | Cheung, Y.W.S, Yip, C.K. | | Deposit date: | 2023-07-13 | | Release date: | 2025-01-22 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.62 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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3F11
 | | Structure of futa1 with iron(III) | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Iron transport protein, ... | | Authors: | Koropatkin, N.M, Randich, A.M, Bhattachryya-Pakrasi, M, Pakrasi, H.B, Smith, T.J. | | Deposit date: | 2008-10-27 | | Release date: | 2008-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the iron-binding protein, FutA1, from Synechocystis 6803
J.Biol.Chem., 282, 2007
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1I8U
 | | FAMILY 9 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA XYLANASE 10A | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE A | | Authors: | Notenboom, V, Boraston, A.B, Warren, R.A.J, Kilburn, D.G, Rose, D.R. | | Deposit date: | 2001-03-16 | | Release date: | 2001-06-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the family 9 carbohydrate-binding module from Thermotoga maritima xylanase 10A in native and ligand-bound forms.
Biochemistry, 40, 2001
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6M8E
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7YFJ
 | | Crystal structure of human WTAP | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pre-mRNA-splicing regulator WTAP | | Authors: | Yan, X.H, Guan, Z.Y, Tang, C, Yin, P. | | Deposit date: | 2022-07-08 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | AI-empowered integrative structural characterization of m 6 A methyltransferase complex.
Cell Res., 32, 2022
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5HTI
 | | Crystal structure of c-Met kinase domain in complex with LXM108 | | Descriptor: | Hepatocyte growth factor receptor, N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | Authors: | Liu, Q.F, Xu, Y.C. | | Deposit date: | 2016-01-26 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of c-Met kinase domain in complex with LXM108
to be published
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7I1H
 | | PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G10 from the F2X-Entry Screen in orthorhombic space group | | Descriptor: | 1-phenyl-1H-tetrazole, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S. | | Deposit date: | 2025-02-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
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7ZVR
 | | Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) complexed with zeaxanthin | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, Carotenoid-binding protein | | Authors: | Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O. | | Deposit date: | 2022-05-17 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
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4PG3
 | | Crystal structure of KRS complexed with inhibitor | | Descriptor: | LYSINE, Lysine--tRNA ligase, cladosporin | | Authors: | Sharma, A, Yogavel, M, Khan, S, Sharma, A, Belrhali, H. | | Deposit date: | 2014-05-01 | | Release date: | 2014-07-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Structural basis of malaria parasite lysyl-tRNA synthetase inhibition by cladosporin.
J. Struct. Funct. Genomics, 15, 2014
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5J35
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8DUA
 | | SIV E660.CR54 SOS-2P Env Trimer with ITS92.02 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Envelope glycoprotein gp41, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2022-07-27 | | Release date: | 2022-10-26 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.32 Å) | | Cite: | Cryo-EM structures of prefusion SIV envelope trimer.
Nat.Struct.Mol.Biol., 29, 2022
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5HP4
 | | Crystal structure bacteriohage T5 D15 flap endonuclease (D155K) pseudo-enzyme-product complex with DNA and metal ions | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*AP*TP*CP*TP*AP*TP*AP*TP*GP*CP*CP*AP*TP*CP*GP*G)-3'), Exodeoxyribonuclease, ... | | Authors: | Almalki, F.A, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
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1D2I
 | | CRYSTAL STRUCTURE OF RESTRICTION ENDONUCLEASE BGLII COMPLEXED WITH DNA 16-MER | | Descriptor: | DNA (5'-D(*TP*AP*TP*TP*AP*TP*AP*GP*AP*TP*CP*TP*AP*TP*AP*A)-3'), MAGNESIUM ION, PROTEIN (RESTRICTION ENDONUCLEASE BGLII) | | Authors: | Lukacs, C.M, Kucera, R, Schildkraut, I, Aggarwal, A.K. | | Deposit date: | 1999-09-23 | | Release date: | 2000-02-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Understanding the immutability of restriction enzymes: crystal structure of BglII and its DNA substrate at 1.5 A resolution.
Nat.Struct.Biol., 7, 2000
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9D2Q
 | | Crystal structure of E. coli Threonine dehydratase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, L-threonine dehydratase biosynthetic IlvA, ... | | Authors: | Yun, M, Rock, C.O. | | Deposit date: | 2024-08-09 | | Release date: | 2025-04-09 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Isoleucine Binding and Regulation of Escherichia coli and Staphylococcus aureus Threonine Dehydratase (IlvA).
Biochemistry, 64, 2025
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6BN5
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2 | | Descriptor: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | | Deposit date: | 2017-11-16 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.
Bioorg. Med. Chem., 25, 2017
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6I8Y
 | | Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ... | | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | Deposit date: | 2018-11-21 | | Release date: | 2018-12-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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3R6R
 | | Structure of the complex of an intramolecular human telomeric DNA with Berberine formed in K+ solution | | Descriptor: | BERBERINE, DNA (22-mer), POTASSIUM ION | | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. | | Deposit date: | 2011-03-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1.
Nucleic Acids Res., 41, 2013
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5HUD
 | | Non-covalent complex of and DAHP synthase and chorismate mutase from Corynebacterium glutamicum with bound transition state analog | | Descriptor: | 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Chorismate mutase, ... | | Authors: | Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U. | | Deposit date: | 2016-01-27 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
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8OWZ
 | | Crystal structure of human Sirt2 in complex with a triazole-based SirReal | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ... | | Authors: | Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M. | | Deposit date: | 2023-04-28 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
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