7A7G
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![BU of 7a7g by Molmil](/molmil-images/mine/7a7g) | Soluble epoxide hydrolase in complex with TK90 | Descriptor: | (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid, Bifunctional epoxide hydrolase 2 | Authors: | Ni, X, Kramer, J.S, Kirchner, T, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combined Cardioprotective and Adipocyte Browning Effects Promoted by the Eutomer of Dual sEH/PPAR gamma Modulator. J.Med.Chem., 64, 2021
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5MUR
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![BU of 5mur by Molmil](/molmil-images/mine/5mur) | X-ray structure of the F14'A mutant of GLIC in complex with propofol | Descriptor: | 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Sauguet, L, Fourati, Z, Delarue, M. | Deposit date: | 2017-01-13 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep, 23, 2018
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6ZV5
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![BU of 6zv5 by Molmil](/molmil-images/mine/6zv5) | CML1 crystal structure in complex with Lewis a tetrasaccharide | Descriptor: | Mucin-binding lectin 1, SULFATE ION, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Varrot, A, Bleuler-Martinez, S. | Deposit date: | 2020-07-24 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity. Glycobiology, 32, 2022
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6S8Y
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![BU of 6s8y by Molmil](/molmil-images/mine/6s8y) | Crystal structure of cytochrome c in complex with a sulfonated quinoline-derived foldamer | Descriptor: | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate, ACETATE ION, Cytochrome c iso-1, ... | Authors: | Alex, J.M, Corvaglia, V, Hu, X, Engilberge, S, Huc, I, Crowley, P.B. | Deposit date: | 2019-07-10 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of a protein-aromatic foldamer composite: macromolecular chiral resolution. Chem.Commun.(Camb.), 55, 2019
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5M60
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![BU of 5m60 by Molmil](/molmil-images/mine/5m60) | Chaetomium thermophilum beta-1-3-glucanase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase, SODIUM ION, ... | Authors: | Papageorgiou, A.C, Chen, J, Li, D. | Deposit date: | 2016-10-23 | Release date: | 2017-05-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure and biological implications of a glycoside hydrolase family 55 beta-1,3-glucanase from Chaetomium thermophilum. Biochim. Biophys. Acta, 1865, 2017
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6S9Q
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![BU of 6s9q by Molmil](/molmil-images/mine/6s9q) | Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-07-15 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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5M72
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![BU of 5m72 by Molmil](/molmil-images/mine/5m72) | Structure of the human SRP68-72 protein-binding domain complex | Descriptor: | GLYCEROL, POTASSIUM ION, SULFATE ION, ... | Authors: | Becker, M.M.M, Wild, K, Sinning, I. | Deposit date: | 2016-10-26 | Release date: | 2016-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human SRP72 complexes provide insights into SRP RNA remodeling and ribosome interaction. Nucleic Acids Res., 45, 2017
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7ABS
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![BU of 7abs by Molmil](/molmil-images/mine/7abs) | Structure of human DCLRE1C/Artemis in complex with DNA - re-evaluation of 6WO0 | Descriptor: | DNA (5'-D(*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*GP*CP*T)-3'), Protein artemis, ... | Authors: | Newman, J.A, Yosaatmadja, Y, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-08 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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5MQR
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![BU of 5mqr by Molmil](/molmil-images/mine/5mqr) | Sialidase BT_1020 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-L-arabinobiosidase, ... | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5M7C
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7A7H
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![BU of 7a7h by Molmil](/molmil-images/mine/7a7h) | Crystal structure of PPARgamma in complex with compound TK90 | Descriptor: | (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma | Authors: | Ni, X, Kirchner, T, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combined Cardioprotective and Adipocyte Browning Effects Promoted by the Eutomer of Dual sEH/PPAR gamma Modulator. J.Med.Chem., 64, 2021
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6ZVA
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![BU of 6zva by Molmil](/molmil-images/mine/6zva) | Crystal structure of My5 | Descriptor: | Myomesin-1, SULFATE ION | Authors: | Sauer, F, Wilmanns, M. | Deposit date: | 2020-07-24 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of Myomesin-1 To Be Published
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5MKG
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![BU of 5mkg by Molmil](/molmil-images/mine/5mkg) | PA3825-EAL Ca-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-12-04 | Release date: | 2016-12-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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6ZWT
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![BU of 6zwt by Molmil](/molmil-images/mine/6zwt) | Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A. | Deposit date: | 2020-07-28 | Release date: | 2021-08-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis. Virulence, 13, 2022
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6ZZA
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![BU of 6zza by Molmil](/molmil-images/mine/6zza) | Crystal structure of CbpB in complex with c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CBS domain-containing protein, SULFATE ION | Authors: | Mechaly, A.E, Covaleda-Cortes, G, Kaminski, P.A. | Deposit date: | 2020-08-04 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Crystal structure of CbpB in complex with c-di-AMP To Be Published
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6SF3
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6SFE
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![BU of 6sfe by Molmil](/molmil-images/mine/6sfe) | CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 7 | Descriptor: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2019-08-01 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product. Chemistry, 26, 2020
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5MU7
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![BU of 5mu7 by Molmil](/molmil-images/mine/5mu7) | Crystal Structure of the beta/delta-COPI Core Complex | Descriptor: | Coatomer subunit beta, Coatomer subunit delta-like protein | Authors: | Kopp, J, Aderhold, P, Wieland, F, Sinning, I. | Deposit date: | 2017-01-12 | Release date: | 2017-06-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | 9 angstrom structure of the COPI coat reveals that the Arf1 GTPase occupies two contrasting molecular environments. Elife, 6, 2017
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5MLN
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5MLU
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![BU of 5mlu by Molmil](/molmil-images/mine/5mlu) | Crystal structure of the PFV GAG CBS bound to a mononucleosome | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B, ... | Authors: | Pye, V.E, Maskell, D.P, Lesbats, P, Cherepanov, P. | Deposit date: | 2016-12-07 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for spumavirus GAG tethering to chromatin. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6SFR
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![BU of 6sfr by Molmil](/molmil-images/mine/6sfr) | SOS1 in Complex with Inhibitor BI-68BS | Descriptor: | 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | Authors: | Kessler, D, Fischer, G, Ramharter, J. | Deposit date: | 2019-08-02 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition. Cancer Discov, 11, 2021
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6ZZ4
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![BU of 6zz4 by Molmil](/molmil-images/mine/6zz4) | Crystal structure of the PTPN2 C216G mutant | Descriptor: | PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 2 | Authors: | Mechaly, A.E, Berthelet, J, Nian, Q, Parlato, M, Cerf-Bensussan, N, Haouz, A, Rodrigues-Lima, F. | Deposit date: | 2020-08-03 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural characterization of a pathogenic mutant of human protein tyrosine phosphatase PTPN2 (Cys216Gly) that causes very early onset autoimmune enteropathy. Protein Sci., 31, 2022
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5MUX
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![BU of 5mux by Molmil](/molmil-images/mine/5mux) | |
5MMY
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![BU of 5mmy by Molmil](/molmil-images/mine/5mmy) | Crystal structure of OXA10 with HEPES | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ... | Authors: | Brem, J. | Deposit date: | 2016-12-12 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
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6ZZJ
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![BU of 6zzj by Molmil](/molmil-images/mine/6zzj) | Crystal structure of the catalytic domain of Corynebacterium glutamicum acetyltransferase AceF (E2p) in complex with oxidized CoA. | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, OXIDIZED COENZYME A | Authors: | Bruch, E.M, Lexa-Sapart, N, Bellinzoni, M. | Deposit date: | 2020-08-04 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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