8C41
| High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ... | 著者 | Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R. | 登録日 | 2022-12-30 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | 主引用文献 | The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin. To Be Published
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8C3W
| Crystal structure of a computationally designed heme binding protein, dnHEM1 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ortmayer, M, Levy, C. | 登録日 | 2022-12-29 | 公開日 | 2023-07-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site. J.Am.Chem.Soc., 145, 2023
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8C3V
| SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, BA.2-13 heavy chain, BA.2-13 light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2022-12-28 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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8C3U
| Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist | 分子名称: | (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta | 著者 | Rondeau, J.-M, Lehmann, S, Koch, E. | 登録日 | 2022-12-28 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | 主引用文献 | Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta. Nat Commun, 14, 2023
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8C3P
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8C3O
| Crystal structure of autotaxin gamma and compound MEY-003 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A. | 登録日 | 2022-12-27 | 公開日 | 2023-11-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8C3N
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8C3J
| Stapled peptide SP2 in complex with humanised RadA mutant HumRadA22 | 分子名称: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid, Breast cancer type 2 susceptibility protein, DNA repair and recombination protein RadA | 著者 | Pantelejevs, T, Hyvonen, M. | 登録日 | 2022-12-26 | 公開日 | 2023-11-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase. Chem Sci, 14, 2023
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8C3I
| Dark state of PAS-GAF fragment from Deinococcus radiodurans phytochrome | 分子名称: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | 著者 | Madan Kumar, S, Sebastian, W. | 登録日 | 2022-12-24 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Dark state of PAS-GAF fragment from Deinococcus radiodurans phytochrome To Be Published
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8C3F
| Double mutant I(L177)H/F(M197)H structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G. | 登録日 | 2022-12-23 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Properties and Crystal Structure of the Cereibacter sphaeroides Photosynthetic Reaction Center with Double Amino Acid Substitution I(L177)H + F(M197)H. Membranes (Basel), 13, 2023
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8C3E
| Engineered mini-protein LCB2 (blocking ligand of SARS-Cov-2 spike protein) | 分子名称: | Engineered protein LCB2, GLYCEROL | 著者 | Korban, S.A, Mikhailovskii, O.V, Luzik, D.A, Gurzhiy, V.V, Levkina, A.D, Kharkov, B.B, Skrynnikov, N.R. | 登録日 | 2022-12-23 | 公開日 | 2023-04-12 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Engineered mini-protein LCB2 (blocking ligand of SARS-Cov-2 spike protein) To Be Published
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8C3B
| X-ray structure of RNase A upon reaction with a Ruthenium(II)-arene Complexed with Glycosylated Carbene Ligands (5) | 分子名称: | (1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium, (1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)ruthenium, (1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium, ... | 著者 | Ferraro, G, Merlino, A. | 登録日 | 2022-12-23 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Ruthenium(II)-arene Complexes with Glycosylated Carbene Ligands: Synthesis, Characterization, Antiproliferative Activity, In Solution and Crystallographic Evidences of Macromolecule Binding To Be Published
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8C2S
| Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 1). | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | 著者 | Yin, Z, Bridges, H.R, Agip, A.N.A, Hirst, J. | 登録日 | 2022-12-22 | 公開日 | 2023-12-20 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural insights into respiratory complex I deficiency and assembly from the mitochondrial disease-related ndufs4 -/- mouse. Embo J., 43, 2024
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8C2F
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8C2E
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8C28
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8C26
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8C25
| purine nucleoside phosphorylase in complex with JS-375 | 分子名称: | CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase, ... | 著者 | Djukic, S, Pachl, P, Rezacova, P. | 登録日 | 2022-12-21 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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8C24
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8C23
| Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (monoclinic form M200T#m) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I. | 登録日 | 2022-12-21 | 公開日 | 2023-05-03 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.842 Å) | 主引用文献 | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
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8C1Y
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8C1X
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8C1V
| SARS-CoV-2 S-trimer (3 RBDs up) bound to TriSb92, fitted into cryo-EM map | 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, Sb92, ... | 著者 | Huiskonen, J.T, Rissanen, I, Hannula, L. | 登録日 | 2022-12-21 | 公開日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Intranasal trimeric sherpabody inhibits SARS-CoV-2 including recent immunoevasive Omicron subvariants. Nat Commun, 14, 2023
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8C1U
| SFX structure of D.m(6-4)photolyase | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | 登録日 | 2022-12-21 | 公開日 | 2023-11-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C1T
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