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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
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
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
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
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
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
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
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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BU of 7fs2 by Molmil
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
7FSC
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BU of 7fsc by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 42
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide, ...
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
実験手法X-RAY DIFFRACTION (1.855 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
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
3P2Z
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BU of 3p2z by Molmil
Polo-like kinase I Polo-box domain in complex with PLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P36
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BU of 3p36 by Molmil
Polo-like kinase I Polo-box domain in complex with DPPLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, PHOSPHATE ION, Serine/threonine-protein kinase PLK1, ...
著者Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P2W
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BU of 3p2w by Molmil
Unliganded form of Polo-like kinase I Polo-box domain
分子名称: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P34
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BU of 3p34 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide
分子名称: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1, ...
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P35
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BU of 3p35 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P37
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BU of 3p37 by Molmil
Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011

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件を2024-05-15に公開中

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