6P2M
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![BU of 6p2m by Molmil](/molmil-images/mine/6p2m) | Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme in complex with LLG xyloglucan | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, GLYCEROL, ... | 著者 | Stogios, P.J, Skarina, T, Arnal, G. | 登録日 | 2019-05-21 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
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8RF2
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![BU of 8rf2 by Molmil](/molmil-images/mine/8rf2) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 1E7 refined against the anomalous diffraction data | 分子名称: | 1-benzothiophen-5-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF6
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![BU of 8rf6 by Molmil](/molmil-images/mine/8rf6) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data | 分子名称: | 6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RFF
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![BU of 8rff by Molmil](/molmil-images/mine/8rff) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data | 分子名称: | 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF8
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![BU of 8rf8 by Molmil](/molmil-images/mine/8rf8) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL6 refined against the anomalous diffraction data | 分子名称: | 6-bromanyl-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8J1R
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![BU of 8j1r by Molmil](/molmil-images/mine/8j1r) | cryo-EM structures of Ufd4 in complex with Ubc4-Ub | 分子名称: | Ubiquitin fusion degradation protein 4, Ubiquitin-conjugating enzyme E2 4 | 著者 | Ai, H.S, Mao, J.X, Wu, X.W, Cai, H.Y, Pan, M, Liu, L. | 登録日 | 2023-04-13 | 公開日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | Structural Visualization of HECT-E3 Ufd4 accepting and transferring Ubiquitin to Form K29/K48-branched Polyubiquitination on N-degron. bioRxiv,doi: ttps://doi.org/10.1101/2023.05.23.542033 To Be Published
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8RF3
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![BU of 8rf3 by Molmil](/molmil-images/mine/8rf3) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data | 分子名称: | 2-(1-benzothiophen-3-yl)ethanoic acid, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF4
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![BU of 8rf4 by Molmil](/molmil-images/mine/8rf4) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 9D4 refined against the anomalous diffraction data | 分子名称: | 4-chloranyl-1~{H}-indazol-3-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RFD
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![BU of 8rfd by Molmil](/molmil-images/mine/8rfd) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL2 refined against the anomalous diffraction data | 分子名称: | (1~{R})-1-(4-iodophenyl)ethanamine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RFC
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![BU of 8rfc by Molmil](/molmil-images/mine/8rfc) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 refined against the anomalous diffraction data | 分子名称: | (1~{R})-1-(4-bromophenyl)ethanamine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8J1P
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![BU of 8j1p by Molmil](/molmil-images/mine/8j1p) | Cryo-EM structure of Ufd4 in complex with K29/48 triUb | 分子名称: | Ubiquitin, Ubiquitin fusion degradation protein 4 | 著者 | Ai, H.S, Mao, J.X, Wu, X.W, Pan, M, Liu, L. | 登録日 | 2023-04-13 | 公開日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | 主引用文献 | Structural Insights into the Molecular Mechanism of Ufd4-catalyzed Elongation of K48-linked Ubiquitin Chain through Lys29 Linkage To Be Published
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8RF5
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![BU of 8rf5 by Molmil](/molmil-images/mine/8rf5) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7 refined against the anomalous diffraction data | 分子名称: | 6-fluoro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | 登録日 | 2023-12-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8GLO
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![BU of 8glo by Molmil](/molmil-images/mine/8glo) | |
8GMM
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![BU of 8gmm by Molmil](/molmil-images/mine/8gmm) | |
4RAK
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![BU of 4rak by Molmil](/molmil-images/mine/4rak) | |
7OPQ
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![BU of 7opq by Molmil](/molmil-images/mine/7opq) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | 分子名称: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | 著者 | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | 登録日 | 2021-06-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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8HFY
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![BU of 8hfy by Molmil](/molmil-images/mine/8hfy) | SARS-CoV-2 Omicron BA.1 spike protein receptor-binding domain in complex with white-tailed deer ACE2 | 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, Angiotensin-converting enzyme, ... | 著者 | Han, P, Meng, Y.M, Qi, J.X. | 登録日 | 2022-11-13 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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8HFX
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![BU of 8hfx by Molmil](/molmil-images/mine/8hfx) | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with white-tailed deer ACE2 | 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, Angiotensin-converting enzyme, ... | 著者 | Han, P, Meng, Y.M, Qi, J.X. | 登録日 | 2022-11-13 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | 主引用文献 | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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8HG0
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![BU of 8hg0 by Molmil](/molmil-images/mine/8hg0) | Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with white-tailed deer ACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | 著者 | Han, P, Meng, Y.M, Qi, J.X. | 登録日 | 2022-11-13 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (3.51 Å) | 主引用文献 | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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8HFZ
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![BU of 8hfz by Molmil](/molmil-images/mine/8hfz) | Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with white-tailed deer ACE2 | 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, Angiotensin-converting enzyme, ... | 著者 | Han, P, Meng, Y.M, Qi, J.X. | 登録日 | 2022-11-13 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | 主引用文献 | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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6Q9R
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![BU of 6q9r by Molmil](/molmil-images/mine/6q9r) | Crystal structure of the pathological N184K variant of calcium-free human gelsolin | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M. | 登録日 | 2018-12-18 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties. Eur.Biophys.J., 49, 2020
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6Q75
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![BU of 6q75 by Molmil](/molmil-images/mine/6q75) | |
6ZU4
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![BU of 6zu4 by Molmil](/molmil-images/mine/6zu4) | Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin | 分子名称: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ... | 著者 | You, W, Steegborn, C. | 登録日 | 2020-07-21 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structural Basis for Activation of Human Sirtuin 6 by Fluvastatin. Acs Med.Chem.Lett., 11, 2020
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7XZC
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![BU of 7xzc by Molmil](/molmil-images/mine/7xzc) | |
6Y9R
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![BU of 6y9r by Molmil](/molmil-images/mine/6y9r) | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | 分子名称: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | 著者 | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | 登録日 | 2020-03-10 | 公開日 | 2020-05-20 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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