7VIT
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![BU of 7vit by Molmil](/molmil-images/mine/7vit) | Crystal structure of Au(400EQ)-apo-R168H/L169C-rHLFr | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | Authors: | Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D. | Deposit date: | 2021-09-27 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of a gold clustering site in an engineered apo-ferritin cage. Commun Chem, 5, 2022
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8CF7
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7NGD
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![BU of 7ngd by Molmil](/molmil-images/mine/7ngd) | |
6TX6
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7NEO
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![BU of 7neo by Molmil](/molmil-images/mine/7neo) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15 | Descriptor: | 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Talibov, V.O. | Deposit date: | 2021-02-04 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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6OH6
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6TXR
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![BU of 6txr by Molmil](/molmil-images/mine/6txr) | Structural insights into cubane-modified aptamer recognition of a malaria biomarker | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Cheung, Y, Roethlisberger, P, Mechaly, A, Weber, P, Wong, A, Lo, Y, Haouz, A, Savage, P, Hollenstein, M, Tanner, J. | Deposit date: | 2020-01-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evolution of abiotic cubane chemistries in a nucleic acid aptamer allows selective recognition of a malaria biomarker. Proc.Natl.Acad.Sci.USA, 117, 2020
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8C3M
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![BU of 8c3m by Molmil](/molmil-images/mine/8c3m) | Crystal structure of ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) V329H mutant from Bacillus cereus | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | Authors: | Dahlen, S.A.B, Hammerstad, M, Hersleth, H.-P. | Deposit date: | 2022-12-26 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction. Antioxidants, 12, 2023
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6OUM
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7SLH
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![BU of 7slh by Molmil](/molmil-images/mine/7slh) | Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C3 | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Jenkins, J.L, Vargas, D, Ren, X, Fasan, R. | Deposit date: | 2021-10-24 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling. Nat.Chem., 16, 2024
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7NGR
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5ADU
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![BU of 5adu by Molmil](/molmil-images/mine/5adu) | The Mechanism of Hydrogen Activation by NiFe-hydrogenases | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Evans, R, Brooke, E.J, Wehlin, S.A, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-08-24 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases. Nat. Chem. Biol., 12, 2016
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7NGS
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6OHA
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![BU of 6oha by Molmil](/molmil-images/mine/6oha) | Yeast Guanine Deaminase | Descriptor: | PENTAETHYLENE GLYCOL, Probable guanine deaminase, SULFATE ION, ... | Authors: | Shek, R.S, French, J.B. | Deposit date: | 2019-04-05 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily. Biochemistry, 58, 2019
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8OK1
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6AFK
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![BU of 6afk by Molmil](/molmil-images/mine/6afk) | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | Descriptor: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C. | Deposit date: | 2018-08-08 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors. Acs Infect Dis., 5, 2019
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8C9Z
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![BU of 8c9z by Molmil](/molmil-images/mine/8c9z) | The RSL - sulfonato-calix[8]arene complex, H32 form, citrate pH 6.0 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Mockler, N.M, Ramberg, K, Crowley, P.B. | Deposit date: | 2023-01-23 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Protein-macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin-sulfonato-calix[8]arene complex. Acta Crystallogr D Struct Biol, 79, 2023
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7VIR
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![BU of 7vir by Molmil](/molmil-images/mine/7vir) | Crystal structure of Au(100EQ)-apo-R168H/L169C-rHLFr | Descriptor: | CADMIUM ION, Ferritin light chain, GOLD ION, ... | Authors: | Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D. | Deposit date: | 2021-09-27 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of a gold clustering site in an engineered apo-ferritin cage. Commun Chem, 5, 2022
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7NBT
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![BU of 7nbt by Molmil](/molmil-images/mine/7nbt) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21 | Descriptor: | 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Talibov, V.O. | Deposit date: | 2021-01-27 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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7SLI
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![BU of 7sli by Molmil](/molmil-images/mine/7sli) | Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C2 | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Jenkins, J.L, Vargas, D, Ren, X, Fasan, R. | Deposit date: | 2021-10-24 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling. Nat.Chem., 16, 2024
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8C9Y
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![BU of 8c9y by Molmil](/molmil-images/mine/8c9y) | The MK-RSL - sulfonato-calix[8]arene complex, H32 form | Descriptor: | GLYCEROL, Putative fucose-binding lectin protein, beta-D-fructopyranose, ... | Authors: | Mockler, N.M, Ramberg, K, Crowley, P.B. | Deposit date: | 2023-01-23 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Protein-macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin-sulfonato-calix[8]arene complex. Acta Crystallogr D Struct Biol, 79, 2023
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8CCQ
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![BU of 8ccq by Molmil](/molmil-images/mine/8ccq) | Crystal structure of arsenite oxidase from Pseudorhizobium banfieldiae str. NT-26 (NT-26 Aio) bound to antimony trioxide | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AroA, ... | Authors: | Engrola, F, Santos-Silva, T, Romao, M.J, Correia, M.A.S. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism. J.Biol.Chem., 299, 2023
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7NGX
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6OVO
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![BU of 6ovo by Molmil](/molmil-images/mine/6ovo) | Crystal structure of the unliganded PG10 TCR | Descriptor: | 1,2-ETHANEDIOL, Alpha Chain T-Cell Receptor PG10, Beta Chain T-Cell Receptor PG10, ... | Authors: | Shahine, A, Rossjohn, J. | Deposit date: | 2019-05-08 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | A TCR beta-Chain Motif Biases toward Recognition of Human CD1 Proteins. J Immunol., 203, 2019
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6M31
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