7ZCE
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1ABI
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5H8S
| Structure of the human GluA2 LBD in complex with GNE3419 | Descriptor: | 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, CACODYLATE ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2015-12-23 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron, 89, 2016
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5ABP
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6G5N
| Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine | Descriptor: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | Deposit date: | 2018-03-29 | Release date: | 2018-04-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces Biorxiv, 2018
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5ACA
| Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design | Descriptor: | VP1, VP2, VP3, ... | Authors: | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | Deposit date: | 2015-08-14 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design Nat.Struct.Mol.Biol., 22, 2015
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7YX8
| Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+ | Descriptor: | GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ... | Authors: | Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2022-02-15 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut. Nat Commun, 13, 2022
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6G6X
| 14-3-3sigma in complex with a P129beta3P mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, SODIUM ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-03 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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5H84
| Human Gcn5 bound to propionyl-CoA | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2A, ISOPROPYL ALCOHOL, ... | Authors: | Wolberger, C, Ringel, A.E. | Deposit date: | 2015-12-23 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for acyl-group discrimination by human Gcn5L2. Acta Crystallogr D Struct Biol, 72, 2016
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5C0A
| 1E6 TCR in complex with HLA-A02 carrying MVW peptide | Descriptor: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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7Z28
| High-resolution crystal structure of ERAP1 with bound bestatin analogue inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Giastas, P, Papakyriakou, A, Stratikos, E, Vourloumis, D. | Deposit date: | 2022-02-26 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin. J.Med.Chem., 65, 2022
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1ADV
| EARLY E2A DNA-BINDING PROTEIN | Descriptor: | ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION | Authors: | Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A. | Deposit date: | 1995-05-12 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein. J.Mol.Biol., 257, 1996
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6G8I
| 14-3-3sigma in complex with a R124beta3R mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ALA-HIS-SEP-SER-PRO-ALA-SER-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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1ADY
| HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDYL-ADENYLATE | Descriptor: | HISTIDYL-ADENOSINE MONOPHOSPHATE, HISTIDYL-TRNA SYNTHETASE, SULFATE ION | Authors: | Cusack, S, Aberg, A. | Deposit date: | 1997-02-19 | Release date: | 1997-08-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase. Biochemistry, 36, 1997
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6G8Q
| 14-3-3sigma in complex with a A130beta3A and Q133beta3Q mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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5L1K
| PostInsertion complex of Human DNA Polymerase Eta bypassing an O6-Methyl-2'-deoxyguanosine : dC site | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*C)-3'), DNA (5'-D(*CP*AP*TP*GP*(6OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Patra, A, Egli, M. | Deposit date: | 2016-07-29 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Mechanisms of Insertion of dCTP and dTTP Opposite the DNA Lesion O6-Methyl-2'-deoxyguanosine by Human DNA Polymerase eta. J.Biol.Chem., 291, 2016
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6N8E
| Crystal structure of holo-ObiF1, a five domain nonribosomal peptide synthetase from Burkholderia diffusa | Descriptor: | 4'-PHOSPHOPANTETHEINE, 4-(4-nitrophenyl)-L-threonine, CHLORIDE ION, ... | Authors: | Kreitler, D.F, Wencewicz, T.A, Gulick, A.M. | Deposit date: | 2018-11-29 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis of N-acyl-alpha-amino-beta-lactone formation catalyzed by a nonribosomal peptide synthetase. Nat Commun, 10, 2019
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5HEN
| Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | Authors: | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2016-01-06 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 To Be Published
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1A87
| COLICIN N | Descriptor: | COLICIN N | Authors: | Vetter, I.R, Parker, M.W, Tucker, A.D, Lakey, J.H, Pattus, F, Tsernoglou, D. | Deposit date: | 1998-04-03 | Release date: | 1999-04-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of a colicin N fragment suggests a model for toxicity. Structure, 6, 1998
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1AN8
| CRYSTAL STRUCTURE OF THE STREPTOCOCCAL SUPERANTIGEN SPE-C | Descriptor: | STREPTOCOCCAL PYROGENIC EXOTOXIN C | Authors: | Roussel, A, Baker, E.N. | Deposit date: | 1997-06-27 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the streptococcal superantigen SPE-C: dimerization and zinc binding suggest a novel mode of interaction with MHC class II molecules. Nat.Struct.Biol., 4, 1997
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7L6D
| Crystal structure of the second bromodomain (BD2) of human BRD2 bound to bromosporine | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, Bromosporine, ... | Authors: | Karim, M.R, Bikowitz, M.J, Chan, A, Schonbrunn, E. | Deposit date: | 2020-12-23 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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8P42
| Full length structure of TcMIP with bound inhibitor NJS227. | Descriptor: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | Deposit date: | 2023-05-19 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains To Be Published
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4ZXP
| Crystal structure of Peptidyl- tRNA Hydrolase from Vibrio cholerae | Descriptor: | CITRATE ANION, Peptidyl-tRNA hydrolase | Authors: | Shahid, S, Pal, R.K, Kabra, A, Yadav, R, Kumar, A, Arora, A. | Deposit date: | 2015-05-20 | Release date: | 2016-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase. RNA, 23, 2017
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5L3C
| Human LSD1/CoREST: LSD1 E379K mutation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A. | Deposit date: | 2016-04-06 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
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6EPM
| Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1 | Descriptor: | (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine, GLYCEROL, GTPase KRas, ... | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | Deposit date: | 2017-10-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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