7QKA
| Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
|
|
7R3U
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | 分子名称: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Snee, M, Katariya, M, Leys, D, Levy, C. | 登録日 | 2022-02-07 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
|
|
7SD2
| |
7TEH
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-05 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
|
|
7TDU
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-03 | 公開日 | 2022-03-02 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
|
|
8SCA
| Rec3 Domain from S. pyogenes Cas9 | 分子名称: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1 | 著者 | D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G. | 登録日 | 2023-04-05 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9. Sci Adv, 10, 2024
|
|
8SXS
| |
8SP7
| |
7TUR
| Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | 著者 | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | 登録日 | 2022-02-03 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-25 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction. Chem Sci, 13, 2022
|
|
8TSZ
| |
8TSU
| |
8TT4
| Pseudomonas fluorescens isocyanide hydratase pH=6.0 | 分子名称: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | 著者 | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | 登録日 | 2023-08-12 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography. Biorxiv, 2023
|
|
8TT0
| |
8TT1
| |
8TT2
| Pseudomonas fluorescens isocyanide hydratase pH=5.4 | 分子名称: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | 著者 | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | 登録日 | 2023-08-12 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography. Biorxiv, 2023
|
|
8TSY
| |
8PVZ
| |
8PKC
| |
8TBW
| Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) peptide KLSHQPVLL | 分子名称: | Beta-2-microglobulin, HLA-A*02:01 alpha chain, NITRATE ION, ... | 著者 | Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M. | 登録日 | 2023-06-29 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.081 Å) | 主引用文献 | Accurate modeling of peptide-MHC structures with AlphaFold. Structure, 32, 2024
|
|
7UPH
| Structure of a ribosome with tethered subunits | 分子名称: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | 著者 | Kim, D.S, Watkins, A, Bidstrup, E, Lee, J, Topkar, V.V, Kofman, C, Schwarz, K.J, Liu, Y, Pintilie, G, Roney, E, Das, R, Jewett, M.C. | 登録日 | 2022-04-15 | 公開日 | 2022-08-17 | 最終更新日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (4.18 Å) | 主引用文献 | Three-dimensional structure-guided evolution of a ribosome with tethered subunits. Nat.Chem.Biol., 18, 2022
|
|
8Q6B
| The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding | 分子名称: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | 著者 | Flood, R.J, Crowley, P.B. | 登録日 | 2023-08-11 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des., 24, 2024
|
|
8FOI
| Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA and allopregnanolone | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ... | 著者 | Sun, C, Gouaux, E. | 登録日 | 2022-12-30 | 公開日 | 2023-09-20 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology. Nature, 622, 2023
|
|
8G4X
| Native GABA-A receptor from the mouse brain, meta-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA and allopregnanolone | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Sun, C, Gouaux, E. | 登録日 | 2023-02-10 | 公開日 | 2023-09-20 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | 主引用文献 | Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology. Nature, 622, 2023
|
|
8G5H
| Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ... | 著者 | Sun, C, Gouaux, E. | 登録日 | 2023-02-13 | 公開日 | 2023-09-20 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | 主引用文献 | Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology. Nature, 622, 2023
|
|
8G5F
| Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA and allopregnanolone | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ... | 著者 | Sun, C, Gouaux, E. | 登録日 | 2023-02-13 | 公開日 | 2023-09-20 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.64 Å) | 主引用文献 | Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology. Nature, 622, 2023
|
|