5LLD
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![BU of 5lld by Molmil](/molmil-images/mine/5lld) | Flavodiiron core of Escherichia coli flavorubredoxin in the reduced form. | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Romao, C.V, Borges, P.T, Vicente, J.B, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2016-07-27 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase. J.Mol.Biol., 428, 2016
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5LMK
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![BU of 5lmk by Molmil](/molmil-images/mine/5lmk) | Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor | Descriptor: | 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A. | Deposit date: | 2016-08-01 | Release date: | 2017-01-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines. Eur J Med Chem, 126, 2016
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7PPZ
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![BU of 7ppz by Molmil](/molmil-images/mine/7ppz) | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form A | Descriptor: | Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I | Authors: | Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | Deposit date: | 2021-09-15 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1. Commun Biol, 5, 2022
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8OMV
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![BU of 8omv by Molmil](/molmil-images/mine/8omv) | |
7SA4
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![BU of 7sa4 by Molmil](/molmil-images/mine/7sa4) | Damaged 70S ribosome with PrfH bound | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Tian, Y, Zeng, F, Raybarman, A, Carruthers, A, Li, Q, Fatma, S, Huang, R.H. | Deposit date: | 2021-09-22 | Release date: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Sequential rescue and repair of stalled and damaged ribosome by bacterial PrfH and RtcB. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PWB
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![BU of 7pwb by Molmil](/molmil-images/mine/7pwb) | dTDP-sugar epimerase from Coxiella burnetii in complex with dTDP | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Cross, A.R, Harmer, N.J, Isupov, M.N. | Deposit date: | 2021-10-06 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases. J.Biol.Chem., 298, 2022
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7A3R
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![BU of 7a3r by Molmil](/molmil-images/mine/7a3r) | Crystal structure of dengue 1 virus envelope glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Core protein, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A. | Deposit date: | 2020-08-18 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
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7A3T
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![BU of 7a3t by Molmil](/molmil-images/mine/7a3t) | Crystal structure of dengue 3 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8 | Descriptor: | Core protein, EDE1 C8 antibody Fab fragment, GLYCEROL, ... | Authors: | Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A. | Deposit date: | 2020-08-18 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
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6YB7
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![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-16 | Release date: | 2020-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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6ZPP
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8TBW
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![BU of 8tbw by Molmil](/molmil-images/mine/8tbw) | Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) peptide KLSHQPVLL | Descriptor: | Beta-2-microglobulin, HLA-A*02:01 alpha chain, NITRATE ION, ... | Authors: | Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M. | Deposit date: | 2023-06-29 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.081 Å) | Cite: | Accurate modeling of peptide-MHC structures with AlphaFold. Structure, 32, 2024
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7A3P
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![BU of 7a3p by Molmil](/molmil-images/mine/7a3p) | Crystal structure of dengue 3 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Single Chain Variable Fragment | Authors: | Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A. | Deposit date: | 2020-08-18 | Release date: | 2021-12-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
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6OSQ
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![BU of 6osq by Molmil](/molmil-images/mine/6osq) | RF1 accommodated state bound Release complex 70S at long incubation time point | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J. | Deposit date: | 2019-05-02 | Release date: | 2019-06-26 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy. Nat Commun, 10, 2019
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6Y9S
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![BU of 6y9s by Molmil](/molmil-images/mine/6y9s) | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | Descriptor: | ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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8TBV
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![BU of 8tbv by Molmil](/molmil-images/mine/8tbv) | Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M. | Deposit date: | 2023-06-29 | Release date: | 2024-01-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Accurate modeling of peptide-MHC structures with AlphaFold. Structure, 32, 2024
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7A3S
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![BU of 7a3s by Molmil](/molmil-images/mine/7a3s) | Crystal structure of dengue 3 virus envelope glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SULFATE ION | Authors: | Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Navarro-Sanchez, E, Rey, F.A. | Deposit date: | 2020-08-18 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
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6OKF
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![BU of 6okf by Molmil](/molmil-images/mine/6okf) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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7PCB
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![BU of 7pcb by Molmil](/molmil-images/mine/7pcb) | The PDZ domain of SNX27 fused with ANXA2 | Descriptor: | CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2 | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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6Y16
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![BU of 6y16 by Molmil](/molmil-images/mine/6y16) | CRYSTAL STRUCTURE OF TMARGBP DOMAIN 1 IN COMPLEX WITH THE GUANIDINIUM ION | Descriptor: | 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | Authors: | Ruggiero, A, Balasco, N, Smaldone, G, Graziano, G, Vitagliano, L. | Deposit date: | 2020-02-11 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Guanidinium binding to proteins: The intriguing effects on the D1 and D2 domains of Thermotoga maritima Arginine Binding Protein and a comprehensive analysis of the Protein Data Bank. Int.J.Biol.Macromol., 163, 2020
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8P4U
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![BU of 8p4u by Molmil](/molmil-images/mine/8p4u) | Alpha-1-antitrypsin - Sydney variant (G192C) | Descriptor: | Alpha-1-antitrypsin | Authors: | Kamuda, K, Lomas, D.A, Irving, J.A. | Deposit date: | 2023-05-23 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation-prone intermediate. Febs J., 291, 2024
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5LC4
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![BU of 5lc4 by Molmil](/molmil-images/mine/5lc4) | Xray structure of mouse FAM3C ILEI dimer | Descriptor: | Protein FAM3C | Authors: | Johansson, P, Jansson, A. | Deposit date: | 2016-06-19 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The interleukin-like epithelial-mesenchymal transition inducer ILEI exhibits a non-interleukin-like fold and is active as a domain-swapped dimer. J. Biol. Chem., 292, 2017
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7MWV
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7MWU
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7SBG
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7SBD
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![BU of 7sbd by Molmil](/molmil-images/mine/7sbd) | |