5FOH
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![BU of 5foh by Molmil](/molmil-images/mine/5foh) | Crystal structure of the catalytic domain of NcLPMO9A | Descriptor: | COPPER (II) ION, LITHIUM ION, POLYSACCHARIDE MONOOXYGENASE, ... | Authors: | Westereng, B, Kracun, S.K, Dimarogona, M, Mathiesen, G, Willats, W.G.T, Sandgren, M, Aachmann, F.L, Eijsink, V.G.H. | Deposit date: | 2015-11-18 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparison of three seemingly similar lytic polysaccharide monooxygenases fromNeurospora crassasuggests different roles in plant biomass degradation. J.Biol.Chem., 2019
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5LGW
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![BU of 5lgw by Molmil](/molmil-images/mine/5lgw) | GlgE isoform 1 from Streptomyces coelicolor D394A mutant co-crystallised with maltodextrin | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ... | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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6GVI
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![BU of 6gvi by Molmil](/molmil-images/mine/6gvi) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | Descriptor: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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7R1Y
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![BU of 7r1y by Molmil](/molmil-images/mine/7r1y) | |
3MPA
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![BU of 3mpa by Molmil](/molmil-images/mine/3mpa) | |
5DQ1
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![BU of 5dq1 by Molmil](/molmil-images/mine/5dq1) | Endothiapepsin in complex with fragment 34 | Descriptor: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | Deposit date: | 2015-09-14 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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6GWT
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![BU of 6gwt by Molmil](/molmil-images/mine/6gwt) | Cryo-EM structure of an E. coli 70S ribosome in complex with RF3-GDPCP, RF1(GAQ) and Pint-tRNA (State I) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Graf, M, Huter, P, Maracci, C, Peterek, M, Rodnina, M.V, Wilson, D.N. | Deposit date: | 2018-06-25 | Release date: | 2018-08-15 | Last modified: | 2019-02-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Visualization of translation termination intermediates trapped by the Apidaecin 137 peptide during RF3-mediated recycling of RF1. Nat Commun, 9, 2018
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5O74
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![BU of 5o74 by Molmil](/molmil-images/mine/5o74) | Crystal structure of human Rab1b covalently bound to the GEF domain of DrrA/SidM from Legionella pneumophila in the presence of GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Multifunctional virulence effector protein DrrA, Ras-related protein Rab-1B | Authors: | Cigler, M, Mueller, T, Horn-Ghetko, D, von Wrisberg, M.K, Fottner, M, Goody, R.S, Itzen, A, Mueller, M.P, Lang, K. | Deposit date: | 2017-06-08 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Proximity-Triggered Covalent Stabilization of Low-Affinity Protein Complexes In Vitro and In Vivo. Angew. Chem. Int. Ed. Engl., 56, 2017
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7C3J
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![BU of 7c3j by Molmil](/molmil-images/mine/7c3j) | Structure of L-lysine oxidase D212A/D315A in complex with L-phenylalanine | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-lysine oxidase, ... | Authors: | Kitagawa, M, Matsumoto, Y, Inagaki, K, Imada, K. | Deposit date: | 2020-05-12 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of strict substrate recognition of l-lysine alpha-oxidase from Trichoderma viride. Protein Sci., 29, 2020
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6GCW
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![BU of 6gcw by Molmil](/molmil-images/mine/6gcw) | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | Descriptor: | 2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION | Authors: | Yen-Pon, E, Li, B, Acebron-Garcia-de-Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | Deposit date: | 2018-04-19 | Release date: | 2019-05-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase. Acs Chem.Biol., 13, 2018
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7RM8
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2Q88
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![BU of 2q88 by Molmil](/molmil-images/mine/2q88) | Crystal structure of EhuB in complex with ectoine | Descriptor: | (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CADMIUM ION, Putative ABC transporter amino acid-binding protein | Authors: | Hanekop, N, Hoeing, M, Sohn-Bosser, L, Jebbar, M, Schmitt, L, Bremer, E. | Deposit date: | 2007-06-09 | Release date: | 2008-01-01 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the ligand-binding protein EhuB from Sinorhizobium meliloti reveals substrate recognition of the compatible solutes ectoine and hydroxyectoine. J.Mol.Biol., 374, 2007
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7R5Q
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2PLO
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![BU of 2plo by Molmil](/molmil-images/mine/2plo) | |
5NYY
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![BU of 5nyy by Molmil](/molmil-images/mine/5nyy) | Formylglycine generating enzyme from T. curvata in complex with Cd(II) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Meury, M, Knop, M, Seebeck, F.P. | Deposit date: | 2017-05-12 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural Basis for Copper-Oxygen Mediated C-H Bond Activation by the Formylglycine-Generating Enzyme. Angew. Chem. Int. Ed. Engl., 56, 2017
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6GD3
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![BU of 6gd3 by Molmil](/molmil-images/mine/6gd3) | Structure of HuR RRM3 in complex with RNA (UAUUUA) | Descriptor: | ELAV-like protein 1, RNA (5'-R(P*UP*AP*UP*UP*UP*A)-3'), SODIUM ION | Authors: | Pabis, M, Sattler, M. | Deposit date: | 2018-04-21 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs. Nucleic Acids Res., 47, 2019
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3MR9
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![BU of 3mr9 by Molmil](/molmil-images/mine/3mr9) | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide M5A variant | Descriptor: | 9-meric peptide from Tegument protein pp65, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with short peptide To be Published
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3MRH
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![BU of 3mrh by Molmil](/molmil-images/mine/3mrh) | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide N3S variant | Descriptor: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Reiser, J.-B, Chouquet, A, Le Gorrec, M, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans. J.Immunol., 193, 2014
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6D3V
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![BU of 6d3v by Molmil](/molmil-images/mine/6d3v) | Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, NICKEL (II) ION, ... | Authors: | Hofmann, A, Cross, M, Park, S.-Y. | Deposit date: | 2018-04-17 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa. FASEB J., 32, 2018
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3MRP
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![BU of 3mrp by Molmil](/molmil-images/mine/3mrp) | Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant | Descriptor: | 10-meric peptide from Melanoma antigen recognized by T-cells 1, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Reiser, J.-B, Chouquet, A, Le Gorrec, M, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant To be Published
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7R57
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6GZ3
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![BU of 6gz3 by Molmil](/molmil-images/mine/6gz3) | tRNA translocation by the eukaryotic 80S ribosome and the impact of GTP hydrolysis, Translocation-intermediate-POST-1 (TI-POST-1) | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | Authors: | Flis, J, Holm, M, Rundlet, E.J, Loerke, J, Hilal, T, Dabrowski, M, Buerger, J, Mielke, T, Blanchard, S.C, Spahn, C.M.T, Budkevich, T.V. | Deposit date: | 2018-07-03 | Release date: | 2018-12-05 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | tRNA Translocation by the Eukaryotic 80S Ribosome and the Impact of GTP Hydrolysis. Cell Rep, 25, 2018
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7R5C
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![BU of 7r5c by Molmil](/molmil-images/mine/7r5c) | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-29 (G206C, R207S, D210L, S211V) | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Isoaspartyl peptidase, ... | Authors: | Barciszewski, J, Imiolczyk, B, Loch, J.I, Jaskolski, M. | Deposit date: | 2022-02-10 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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6H5D
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![BU of 6h5d by Molmil](/molmil-images/mine/6h5d) | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 2 | Descriptor: | (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme. Org Chem Front, 9, 2019
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7R1G
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![BU of 7r1g by Molmil](/molmil-images/mine/7r1g) | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-38 (R207C, D210S, S211V) | Descriptor: | Beta-aspartyl-peptidase, Isoaspartyl peptidase, SODIUM ION | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | Deposit date: | 2022-02-02 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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