6Y7O
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![BU of 6y7o by Molmil](/molmil-images/mine/6y7o) | The complex between the eight-bladed symmetrical designer protein Tako8 and the silicotungstic acid Keggin (STA) | Descriptor: | Keggin (STA), Tako8 | Authors: | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | Deposit date: | 2020-03-02 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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7KIQ
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8AAA
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![BU of 8aaa by Molmil](/molmil-images/mine/8aaa) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-06-30 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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6FJ4
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7Q58
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![BU of 7q58 by Molmil](/molmil-images/mine/7q58) | Crystal structure of the SAKe6BR designer protein | Descriptor: | SAKe6BR | Authors: | Wouters, S.M.L, Noguchi, H, Velupla, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | Deposit date: | 2021-11-03 | Release date: | 2023-02-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies To be published
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8SQT
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5V3B
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7PHO
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![BU of 7pho by Molmil](/molmil-images/mine/7pho) | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde | Descriptor: | BICARBONATE ION, D-MALATE, GLYCEROL, ... | Authors: | Nunes-Costa, D, Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | Deposit date: | 2021-08-17 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde To Be Published
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6F2Y
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![BU of 6f2y by Molmil](/molmil-images/mine/6f2y) | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with Ap4A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, ... | Authors: | Dohler, C, Zebisch, M, Strater, N. | Deposit date: | 2017-11-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3). Sci Rep, 8, 2018
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5UVF
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![BU of 5uvf by Molmil](/molmil-images/mine/5uvf) | Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 | Descriptor: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-20 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Sci Rep, 7, 2017
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6PUF
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![BU of 6puf by Molmil](/molmil-images/mine/6puf) | Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
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6F49
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![BU of 6f49 by Molmil](/molmil-images/mine/6f49) | Periplasmic domain of LolC lacking the Hook. | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, GLYCEROL, Lipoprotein-releasing system transmembrane protein LolC,Lipoprotein-releasing system transmembrane protein LolC | Authors: | Kaplan, E. | Deposit date: | 2017-11-29 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Insights into bacterial lipoprotein trafficking from a structure of LolA bound to the LolC periplasmic domain. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5GPI
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6CIF
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![BU of 6cif by Molmil](/molmil-images/mine/6cif) | Structure of the human endothelial nitric oxide synthase heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-02-23 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides. Biochemistry, 57, 2018
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8SV0
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6J84
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![BU of 6j84 by Molmil](/molmil-images/mine/6j84) | Crystal structure of TleB with hydroxyl analog | Descriptor: | (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nakamura, H, Mori, T, Abe, I. | Deposit date: | 2019-01-18 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Nat.Chem.Biol., 15, 2019
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7KRI
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![BU of 7kri by Molmil](/molmil-images/mine/7kri) | FR6-bound SARS-CoV-2 Nsp9 RNA-replicase | Descriptor: | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, MALONATE ION, Non-structural protein 9, ... | Authors: | Littler, D.R, Gully, B.S, Rossjohn, J. | Deposit date: | 2020-11-20 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Binding of a pyrimidine RNA base-mimic to SARS-CoV-2 nonstructural protein 9. J.Biol.Chem., 297, 2021
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6PUK
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![BU of 6puk by Molmil](/molmil-images/mine/6puk) | Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72 | Descriptor: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol, ACETATE ION, Beta-2-microglobulin, ... | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
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7L1Y
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![BU of 7l1y by Molmil](/molmil-images/mine/7l1y) | Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium-xylobiose complex | Descriptor: | 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E. | Deposit date: | 2020-12-15 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium. Biotechnol.Bioeng., 118, 2021
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8SLH
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5UX2
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8SLD
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![BU of 8sld by Molmil](/molmil-images/mine/8sld) | |
5V63
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8SLG
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7L16
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![BU of 7l16 by Molmil](/molmil-images/mine/7l16) | Crystal structure of sugar-bound melibiose permease MelB | Descriptor: | Melibiose carrier protein, dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside | Authors: | Guan, L. | Deposit date: | 2020-12-14 | Release date: | 2021-08-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | X-ray crystallography reveals molecular recognition mechanism for sugar binding in a melibiose transporter MelB. Commun Biol, 4, 2021
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