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PDB: 209 件
4XYX
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NanB plus Optactamide
分子名称: Optactamide, PHOSPHATE ION, Sialidase B
著者Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J.
登録日2015-02-03
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To Be Published
6S6F
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BU of 6s6f by Molmil
Crystal structure of 2-methylcitrate synthase (PrpC) from Pseudomonas aeruginosa in apo form.
分子名称: CHLORIDE ION, Citrate synthase, GLYCEROL
著者Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M.
登録日2019-07-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of 2-methylcitrate synthase (PrpC) from Pseudomonas aeruginosa in apo form.
To Be Published
6S62
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BU of 6s62 by Molmil
Crystal structure of 2-methylcitrate dehydratase (PrpD) from Pseudomonas aeruginosa in apo form.
分子名称: Propionate catabolic protein PrpD
著者Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M.
登録日2019-07-02
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal structure of 2-methylcitrate dehydratase (PrpD) from Pseudomonas aeruginosa in apo form.
To Be Published
6QXL
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BU of 6qxl by Molmil
Crystal Structure of Pyruvate Kinase II (PykA) from Pseudomonas aeruginosa in complex with sodium malonate, magnesium and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
著者Abdelhamid, Y, Brear, P, Welch, M.
登録日2019-03-07
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Evolutionary plasticity in the allosteric regulator-binding site of pyruvate kinase isoform PykA fromPseudomonas aeruginosa.
J.Biol.Chem., 294, 2019
6S87
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BU of 6s87 by Molmil
Crystal structure of 2-methylcitrate synthase (PrpC) from Pseudomonas aeruginosa in complex with oxaloacetate.
分子名称: Citrate synthase, GLYCEROL, OXALOACETATE ION
著者Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M.
登録日2019-07-08
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of 2-methylcitrate synthase (PrpC) from Pseudomonas aeruginosa in complex with oxaloacetate.
To Be Published
6T5M
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BU of 6t5m by Molmil
Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in complex with Mg(II)-pyruvate.
分子名称: 2-methylisocitrate lyase, MAGNESIUM ION, PYRUVIC ACID
著者Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M.
登録日2019-10-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in complex with Mg(II)-pyruvate.
To Be Published
6T4V
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BU of 6t4v by Molmil
Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in apo form.
分子名称: 2-methylisocitrate lyase, PYRUVIC ACID
著者Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M.
登録日2019-10-15
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in apo form.
To Be Published
7FSA
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BU of 7fsa by Molmil
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
7FS1
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BU of 7fs1 by Molmil
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
7FS3
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BU of 7fs3 by Molmil
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
7FRV
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BU of 7frv by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 3
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4'-sulfonyldi(benzene-1,2-diol), 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 (2.004 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
7FS0
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BU of 7fs0 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 8
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide, 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 (2.412 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
7FRY
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BU of 7fry by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 6
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-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 (1.958 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
7FS7
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BU of 7fs7 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 20
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-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 (2.774 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
7FS5
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BU of 7fs5 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 17
分子名称: (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 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 (2.182 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
7FRZ
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BU of 7frz by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 7
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide, 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 (2.085 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
7FS6
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BU of 7fs6 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 18
分子名称: (10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 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 (2.241 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
7FRX
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BU of 7frx by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 5
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-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 (1.847 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
7FSB
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BU of 7fsb by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 41
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-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 (2.495 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
7FRW
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BU of 7frw by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 4
分子名称: (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione, 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 (1.737 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
7FS4
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BU of 7fs4 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 16
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, 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 (2.19 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
7FS9
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BU of 7fs9 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 22
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, 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 (1.721 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
7FSD
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BU of 7fsd by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 44
分子名称: (1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]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 (1.769 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
7FS2
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Structure of liver pyruvate kinase in complex with allosteric modulator 13
分子名称: (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[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 (2.374 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
7FS8
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BU of 7fs8 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 21
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, 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 (2.098 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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件を2024-07-31に公開中

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