1NL5
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![BU of 1nl5 by Molmil](/molmil-images/mine/1nl5) | Engineered High-affinity Maltose-Binding Protein | 分子名称: | Maltose-binding periplasmic protein, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Telmer, P.G, Shilton, B.H. | 登録日 | 2003-01-06 | 公開日 | 2003-08-12 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Insights into the Conformational Equilibria of Maltose-binding Protein by Analysis of High Affinity Mutants. J.Biol.Chem., 278, 2003
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7FQP
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![BU of 7fqp by Molmil](/molmil-images/mine/7fqp) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000505a | 分子名称: | (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRL
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![BU of 7frl by Molmil](/molmil-images/mine/7frl) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434917 | 分子名称: | 1-(3,4-dimethoxyphenyl)methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQQ
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![BU of 7fqq by Molmil](/molmil-images/mine/7fqq) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000611a | 分子名称: | (1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQR
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![BU of 7fqr by Molmil](/molmil-images/mine/7fqr) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000666a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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6Q7M
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![BU of 6q7m by Molmil](/molmil-images/mine/6q7m) | Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ... | 著者 | Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M. | 登録日 | 2018-12-13 | 公開日 | 2020-02-12 | 最終更新日 | 2020-02-19 | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | 主引用文献 | Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex. Commun Biol, 3, 2020
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7FQZ
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![BU of 7fqz by Molmil](/molmil-images/mine/7fqz) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000203a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-fluoro-1,3-dihydro-2H-indol-2-one, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-20 | 公開日 | 2022-11-23 | 最終更新日 | 2023-03-22 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRG
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![BU of 7frg by Molmil](/molmil-images/mine/7frg) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z31222641 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRO
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![BU of 7fro by Molmil](/molmil-images/mine/7fro) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z744754722 | 分子名称: | 2-(thiophen-2-yl)-1H-imidazole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRK
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![BU of 7frk by Molmil](/molmil-images/mine/7frk) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z30820160 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(4-methyl-1,3-thiazol-2-yl)propanamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRR
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![BU of 7frr by Molmil](/molmil-images/mine/7frr) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434906 | 分子名称: | (benzyloxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-25 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRN
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![BU of 7frn by Molmil](/molmil-images/mine/7frn) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z915492990 | 分子名称: | 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQW
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![BU of 7fqw by Molmil](/molmil-images/mine/7fqw) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOCR000171b | 分子名称: | 2-(thiophen-2-yl)-1H-imidazole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRM
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![BU of 7frm by Molmil](/molmil-images/mine/7frm) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z509756472 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRQ
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![BU of 7frq by Molmil](/molmil-images/mine/7frq) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000217b | 分子名称: | 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQN
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![BU of 7fqn by Molmil](/molmil-images/mine/7fqn) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000497a | 分子名称: | (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRS
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![BU of 7frs by Molmil](/molmil-images/mine/7frs) | PanDDA analysis group deposition of ground-state model of PTP1B | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-26 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRJ
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![BU of 7frj by Molmil](/molmil-images/mine/7frj) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434770 | 分子名称: | 1-(3-chlorophenyl)-N-methylmethanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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8FUL
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![BU of 8ful by Molmil](/molmil-images/mine/8ful) | |
8FUM
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![BU of 8fum by Molmil](/molmil-images/mine/8fum) | |
6Q7O
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![BU of 6q7o by Molmil](/molmil-images/mine/6q7o) | Crystal structure of OE1 | 分子名称: | CALCIUM ION, OE1 | 著者 | Levy, C.W. | 登録日 | 2018-12-13 | 公開日 | 2019-06-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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6PZ0
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![BU of 6pz0 by Molmil](/molmil-images/mine/6pz0) | Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and L-Tyrosine | 分子名称: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, TYROSINE, ... | 著者 | Sun, Z, Kavran, J.M, Rokita, S.E. | 登録日 | 2019-07-31 | 公開日 | 2021-02-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana. J.Biol.Chem., 297, 2021
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7FSA
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![BU of 7fsa by Molmil](/molmil-images/mine/7fsa) | Structure of liver pyruvate kinase in complex with allosteric modulator 24 | 分子名称: | (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS1
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![BU of 7fs1 by Molmil](/molmil-images/mine/7fs1) | Structure of liver pyruvate kinase in complex with allosteric modulator 11 | 分子名称: | (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.863 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS3
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![BU of 7fs3 by Molmil](/molmil-images/mine/7fs3) | Structure of liver pyruvate kinase in complex with allosteric modulator 15 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.655 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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