5MSY
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![BU of 5msy by Molmil](/molmil-images/mine/5msy) | Glycoside hydrolase BT_1012 | Descriptor: | AMMONIA, Glycoside hydrolase, PHOSPHATE ION | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2017-01-06 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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6RIH
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![BU of 6rih by Molmil](/molmil-images/mine/6rih) | Crystal structure of PHGDH in complex with compound 9 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-24 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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5MCJ
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![BU of 5mcj by Molmil](/molmil-images/mine/5mcj) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 14.1 MGy | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | Deposit date: | 2016-11-09 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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6RIV
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![BU of 6riv by Molmil](/molmil-images/mine/6riv) | Crystal structure of Alopecurus myosuroides GSTF | Descriptor: | GLYCEROL, Glutathione transferase, S-Hydroxy-Glutathione, ... | Authors: | Papageorgiou, A.C, Poudel, N. | Deposit date: | 2019-04-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Comparative structural and functional analysis of phi class glutathione transferases involved in multiple-herbicide resistance of grass weeds and crops. Plant Physiol Biochem., 149, 2020
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7CGD
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![BU of 7cgd by Molmil](/molmil-images/mine/7cgd) | Silver-bound E.coli malate dehydrogenase | Descriptor: | Malate dehydrogenase, SILVER ION | Authors: | Wang, H, Wang, M, Sun, H. | Deposit date: | 2020-07-01 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm. Chem Sci, 11, 2020
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6RJ2
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![BU of 6rj2 by Molmil](/molmil-images/mine/6rj2) | Crystal structure of PHGDH in complex with compound 40 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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5M9O
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![BU of 5m9o by Molmil](/molmil-images/mine/5m9o) | Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide | Descriptor: | E2F peptide, Staphylococcal nuclease domain-containing protein 1 | Authors: | Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Siejka, P, Sorrell, F.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-11-01 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically
dimethylated E2F peptide To Be Published
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7CX9
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![BU of 7cx9 by Molmil](/molmil-images/mine/7cx9) | Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1 | Descriptor: | 3-iodanyl-1~{H}-indazole-7-carbaldehyde, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Zeng, R, Liu, X.L, Qiao, J.X, Nan, J.S, Wang, Y.F, Li, Y.S, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-01 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1 To Be Published
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7CJU
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![BU of 7cju by Molmil](/molmil-images/mine/7cju) | |
6RLL
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![BU of 6rll by Molmil](/molmil-images/mine/6rll) | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ44064146 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | Brown, D.G, Robinson, C.M, Pande, V. | Deposit date: | 2019-05-02 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A chemical probe for the methyl transferase PRMT5 with a novel
binding mode To Be Published
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7C6R
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![BU of 7c6r by Molmil](/molmil-images/mine/7c6r) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellopentaose | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-22 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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6RJQ
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![BU of 6rjq by Molmil](/molmil-images/mine/6rjq) | Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, TAZpS89 | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J. | Deposit date: | 2019-04-29 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.885 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RJX
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6RKC
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![BU of 6rkc by Molmil](/molmil-images/mine/6rkc) | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, Methionine adenosyltransferase, ... | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | Deposit date: | 2019-04-30 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase. J.Mol.Biol., 431, 2019
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5MGC
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![BU of 5mgc by Molmil](/molmil-images/mine/5mgc) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 4-Galactosyl-lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Probable beta-galactosidase A, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-11-21 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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7C8Z
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![BU of 7c8z by Molmil](/molmil-images/mine/7c8z) | |
5MGK
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5MGT
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![BU of 5mgt by Molmil](/molmil-images/mine/5mgt) | Complex of human NKR-P1 and LLT1 in deglycosylated forms | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, CHLORIDE ION, ... | Authors: | Blaha, J, Skalova, T, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J. | Deposit date: | 2016-11-22 | Release date: | 2018-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse. Nat Commun, 13, 2022
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7CBS
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![BU of 7cbs by Molmil](/molmil-images/mine/7cbs) | Crystal structure of SpaB basal pilin from Lactobacillus rhamnosus GG | Descriptor: | CHLORIDE ION, LPXTG cell wall anchor domain-containing protein, MAGNESIUM ION | Authors: | Megta, A.K, Pratap, S, Kant, A, Krishnan, V. | Deposit date: | 2020-06-13 | Release date: | 2020-12-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of the atypically adhesive SpaB basal pilus subunit: Mechanistic insights about its incorporation in lactobacillar SpaCBA pili. Curr Res Struct Biol, 2, 2020
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6RM5
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![BU of 6rm5 by Molmil](/molmil-images/mine/6rm5) | Fragment AZ-016 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-05-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.884 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RMU
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![BU of 6rmu by Molmil](/molmil-images/mine/6rmu) | Crystal structure of disulphide-linked human C3d dimer in complex with Staphylococcus aureus complement subversion protein Sbi-IV | Descriptor: | 1,2-ETHANEDIOL, Complement C3, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wahid, A.A, van den Elsen, J.M.H, Crennell, S.J. | Deposit date: | 2019-05-07 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Staphylococcal Complement Evasion Protein Sbi Stabilises C3d Dimers by Inducing an N-Terminal Helix Swap Front Immunol, 13, 2022
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6RNG
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![BU of 6rng by Molmil](/molmil-images/mine/6rng) | Dipeptide Gly-Pro binds to a glycolytic enzyme fructose bisphosphate aldolase | Descriptor: | Fructose-bisphosphate aldolase 6, cytosolic, GLYCINE, ... | Authors: | Shahar, A, Zarivach, R, Skirycz, A, Wojciechowska, I. | Deposit date: | 2019-05-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dipeptide Gly-Pro binds to a glycolytic enzyme fructose bisphosphate aldolase Not Published
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5MMD
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![BU of 5mmd by Molmil](/molmil-images/mine/5mmd) | TMB-1. Structural insights into TMB-1 and the role of residue 119 and 228 in substrate and inhibitor binding | Descriptor: | CHLORIDE ION, Metallo-beta-lactamase 1, ZINC ION | Authors: | Skagseth, S, Christopeit, T, Akhter, S, Bayer, A, Samuelsen, O, Leiros, H.-K.S. | Deposit date: | 2016-12-09 | Release date: | 2017-03-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding. Antimicrob. Agents Chemother., 61, 2017
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6ROC
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![BU of 6roc by Molmil](/molmil-images/mine/6roc) | Crystal structure of Borrelia burgdorferi outer surface protein BBA69, mutant Leu214Met (Se-Met data) | Descriptor: | Putative surface protein | Authors: | Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. | Deposit date: | 2019-05-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of Borrelia burgdorferi outer surface protein BBA69 in comparison to the paralogous protein CspA. Ticks Tick Borne Dis, 10, 2019
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6ROY
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![BU of 6roy by Molmil](/molmil-images/mine/6roy) | |