6XAA
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![BU of 6xaa by Molmil](/molmil-images/mine/6xaa) | SARS CoV-2 PLpro in complex with ubiquitin propargylamide | Descriptor: | Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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6XBS
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![BU of 6xbs by Molmil](/molmil-images/mine/6xbs) | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA | Descriptor: | CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | Deposit date: | 2020-06-07 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA To Be Published
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6BCE
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![BU of 6bce by Molmil](/molmil-images/mine/6bce) | Wild-type I-LtrI bound to cognate substrate (pre-cleavage complex) | Descriptor: | CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | Authors: | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | Deposit date: | 2017-10-20 | Release date: | 2018-10-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases. Nucleic Acids Res., 46, 2018
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6Z9S
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![BU of 6z9s by Molmil](/molmil-images/mine/6z9s) | Transcription termination intermediate complex 4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ... | Authors: | Said, N, Hilal, T, Loll, B, Wahl, M.C. | Deposit date: | 2020-06-04 | Release date: | 2020-11-04 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho. Science, 371, 2021
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7TOM
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![BU of 7tom by Molmil](/molmil-images/mine/7tom) | X-ray crystal structure of glycerol dibiphytanyl glycerol tetraether - macrocyclic archaeol synthase (GDGT-MAS) from Methanocaldococcus jannaschii with bacterial lipid substrate analog, 5'deoxyadenosine, and methionine bound | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 5'-DEOXYADENOSINE, FE (III) ION, ... | Authors: | Lloyd, C.T, Booker, S.J, Boal, A.K. | Deposit date: | 2022-01-24 | Release date: | 2022-08-31 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery, structure and mechanism of a tetraether lipid synthase. Nature, 609, 2022
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7BWJ
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![BU of 7bwj by Molmil](/molmil-images/mine/7bwj) | crystal structure of SARS-CoV-2 antibody with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Wang, X, Ge, J. | Deposit date: | 2020-04-14 | Release date: | 2020-06-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Human neutralizing antibodies elicited by SARS-CoV-2 infection. Nature, 584, 2020
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6MQE
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4Y0Z
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![BU of 4y0z by Molmil](/molmil-images/mine/4y0z) | Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | Deposit date: | 2015-02-06 | Release date: | 2015-06-24 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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6FYT
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7U65
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![BU of 7u65 by Molmil](/molmil-images/mine/7u65) | Structure of E. coli dGTPase bound to T7 bacteriophage protein Gp1.2 | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, Inhibitor of dGTPase | Authors: | Klemm, B.P, Hsu, A.L, Borgnia, M.J, Schaaper, R.M. | Deposit date: | 2022-03-03 | Release date: | 2022-08-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism by which T7 bacteriophage protein Gp1.2 inhibits Escherichia coli dGTPase. Proc.Natl.Acad.Sci.USA, 119, 2022
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6MQS
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7U67
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![BU of 7u67 by Molmil](/molmil-images/mine/7u67) | Structure of E. coli dGTPase bound to T7 bacteriophage protein Gp1.2 and GTP | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, GUANOSINE-5'-TRIPHOSPHATE, Inhibitor of dGTPase, ... | Authors: | Klemm, B.P, Hsu, A.L, Borgnia, M.J, Schaaper, R.M. | Deposit date: | 2022-03-03 | Release date: | 2022-08-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanism by which T7 bacteriophage protein Gp1.2 inhibits Escherichia coli dGTPase. Proc.Natl.Acad.Sci.USA, 119, 2022
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6PMI
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![BU of 6pmi by Molmil](/molmil-images/mine/6pmi) | Sigm28-transcription initiation complex with specific promoter at the state 1 | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Liu, B, Shi, W. | Deposit date: | 2019-07-02 | Release date: | 2020-05-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain. Embo J., 39, 2020
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7A5S
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![BU of 7a5s by Molmil](/molmil-images/mine/7a5s) | Complex of SARS-CoV-2 spike and CR3022 Fab (Homogeneous Refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab Heavy Chain, CR3022 Fab Light Chain, ... | Authors: | Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J. | Deposit date: | 2020-08-21 | Release date: | 2020-09-16 | Last modified: | 2020-11-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Antibody-mediated disruption of the SARS-CoV-2 spike glycoprotein. Nat Commun, 11, 2020
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5LPU
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![BU of 5lpu by Molmil](/molmil-images/mine/5lpu) | Crystal structure of Annexin A2 complexed with S100A4 | Descriptor: | Annexin A2, CALCIUM ION, GLYCEROL, ... | Authors: | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | Deposit date: | 2016-08-15 | Release date: | 2017-07-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
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6SLN
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![BU of 6sln by Molmil](/molmil-images/mine/6sln) | Structure of the RagAB peptide transporter | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Madej, M, Ranson, N.A, White, J.B.R. | Deposit date: | 2019-08-20 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis. Nat Microbiol, 5, 2020
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6SX0
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![BU of 6sx0 by Molmil](/molmil-images/mine/6sx0) | Specific dsRNA recognition by wild type H7N1 NS1 RNA-binding domain | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Non-structural protein 1, ... | Authors: | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | Deposit date: | 2019-09-24 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
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6VST
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![BU of 6vst by Molmil](/molmil-images/mine/6vst) | Arginase from Medicago truncatula in complex with ornithine | Descriptor: | Arginase, L-ornithine, MANGANESE (II) ION | Authors: | Sekula, B. | Deposit date: | 2020-02-11 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The Neighboring Subunit Is Engaged to Stabilize the Substrate in the Active Site of Plant Arginases. Front Plant Sci, 11, 2020
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8R5J
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![BU of 8r5j by Molmil](/molmil-images/mine/8r5j) | Crystal structure of MERS-CoV main protease | Descriptor: | Non-structural protein 11 | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-11-16 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Crystal structure of MERS-CoV main protease To Be Published
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5J6C
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![BU of 5j6c by Molmil](/molmil-images/mine/5j6c) | FMN-dependent Nitroreductase (CDR20291_0767) from Clostridium difficile R20291 | Descriptor: | FLAVIN MONONUCLEOTIDE, IMIDAZOLE, Putative reductase | Authors: | Powell, S.M, Wang, B, Hessami, N, Najar, F.Z, Thomas, L.M, West, A.H, Karr, E.A, Richter-Addo, G.B. | Deposit date: | 2016-04-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole. Nitric Oxide, 60, 2016
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6VV9
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![BU of 6vv9 by Molmil](/molmil-images/mine/6vv9) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 | Descriptor: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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7OYX
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![BU of 7oyx by Molmil](/molmil-images/mine/7oyx) | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y S247D in complex with spermidine | Descriptor: | (2~{R})-1-(2-methoxyethoxy)propan-2-amine, (2~{R})-1-[(2~{R})-1-[(2~{S})-1-[(2~{S})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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6PRK
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![BU of 6prk by Molmil](/molmil-images/mine/6prk) | X-ray Crystal Structure of Bacillus subtilis RicA in complex with RicF | Descriptor: | RicA, RicF | Authors: | Khaja, F.T, Jeffrey, P.D, Neiditch, M.B, Dubnau, D. | Deposit date: | 2019-07-10 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-Function Studies of the Bacillus subtilis Ric Proteins Identify the Fe-S Cluster-Ligating Residues and Their Roles in Development and RNA Processing. Mbio, 10, 2019
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6ZID
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![BU of 6zid by Molmil](/molmil-images/mine/6zid) | Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (b) structure | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Baath, P, Dods, R, Braenden, G, Neutze, R. | Deposit date: | 2020-06-25 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ultrafast structural changes within a photosynthetic reaction centre. Nature, 589, 2021
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6ZJ9
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![BU of 6zj9 by Molmil](/molmil-images/mine/6zj9) | Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase | Authors: | Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P. | Deposit date: | 2020-06-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants. Environ Pollut, 268, 2021
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