7KQP
| Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | 分子名称: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-17 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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7KQW
| Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-17 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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6LQA
| voltage-gated sodium channel Nav1.5 with quinidine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Quinidine, Sodium channel protein type 5 subunit alpha | 著者 | Yan, N, Li, Z, Pan, X, Huang, G. | 登録日 | 2020-01-13 | 公開日 | 2021-03-24 | 最終更新日 | 2021-05-19 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural Basis for Pore Blockade of the Human Cardiac Sodium Channel Na v 1.5 by the Antiarrhythmic Drug Quinidine*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7KQO
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7KR0
| Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-18 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.77 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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7KR1
| Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K) | 分子名称: | Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-11-18 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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6XML
| Human aldolase A I98C | 分子名称: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | 著者 | Meneely, K.M, Brewer, K, Lamb, A.L. | 登録日 | 2020-06-30 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6XMO
| Human aldolase A I98F | 分子名称: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | 著者 | Meneely, K.M, Lamb, A.L. | 登録日 | 2020-06-30 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6XMH
| Human aldolase A wild type | 分子名称: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | 著者 | Meneely, K.M, Lamb, A.L. | 登録日 | 2020-06-30 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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6XMM
| Human aldolase A I98S | 分子名称: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | 著者 | Meneely, K.M, Brewer, K, Lamb, A.L. | 登録日 | 2020-06-30 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population. Protein Sci., 31, 2022
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5EOL
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4FLH
| Crystal structure of human PI3K-gamma in complex with AMG511 | 分子名称: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2012-06-14 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511. J.Med.Chem., 55, 2012
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8XEP
| Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin | 分子名称: | SULFATE ION, Type IV effector MavL, Ubiquitin | 著者 | Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q. | 登録日 | 2023-12-12 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
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8S9M
| DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga | 分子名称: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2023-03-29 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga. J.Biol.Chem., 299, 2023
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8S9N
| DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form | 分子名称: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2023-03-29 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga. J.Biol.Chem., 299, 2023
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8S9O
| DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form | 分子名称: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2023-03-29 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga. J.Biol.Chem., 299, 2023
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3QJZ
| Crystal structure of PI3K-gamma in complex with benzothiazole 1 | 分子名称: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2011-01-31 | 公開日 | 2011-03-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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4UMT
| Structure of MELK in complex with inhibitors | 分子名称: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | 登録日 | 2014-05-21 | 公開日 | 2014-10-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015
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4UMU
| Structure of MELK in complex with inhibitors | 分子名称: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | 登録日 | 2014-05-21 | 公開日 | 2014-10-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015
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3QK0
| Crystal structure of PI3K-gamma in complex with benzothiazole 82 | 分子名称: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2011-01-31 | 公開日 | 2011-03-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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7L33
| X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer | 分子名称: | COPPER (II) ION, Cu-3SCC | 著者 | Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D. | 登録日 | 2020-12-17 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide Acs Catalysis, 11, 2021
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8JO3
| Cryo-EM structure of a Legionella effector complexed with actin and AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | 著者 | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | 登録日 | 2023-06-07 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | 主引用文献 | Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
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8JO4
| Cryo-EM structure of a Legionella effector complexed with actin and ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | 登録日 | 2023-06-07 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
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1Q6A
| Solution Structure of the C-terminal Domain of Thermosynechococcus elongatus KaiA (ThKaiA180C); Averaged Minimized Structure | 分子名称: | Circadian clock protein KaiA homolog | 著者 | Vakonakis, I, Sun, J, Holzenburg, A, Golden, S.S, LiWang, A.C. | 登録日 | 2003-08-13 | 公開日 | 2003-08-19 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the KaiC-interacting C-terminal domain of KaiA, a circadian clock protein: Implications for KaiA-KaiC interaction Proc.Natl.Acad.Sci.USA, 101, 2004
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1Q6B
| Solution Structure of the C-terminal Domain of Thermosynechococcus elongatus KaiA (ThKaiA180C); Ensemble of 25 Structures | 分子名称: | Circadian clock protein KaiA homolog | 著者 | Vakonakis, I, Sun, J, Golden, S.S, Holzenburg, A, LiWang, A.C. | 登録日 | 2003-08-13 | 公開日 | 2003-08-19 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the KaiC-interacting C-terminal domain of KaiA, a circadian clock protein: implications for KaiA-KaiC interaction Proc.Natl.Acad.Sci.USA, 101, 2004
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