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4B0N
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BU of 4b0n by Molmil
Crystal structure of PKS-I from the brown algae Ectocarpus siliculosus
Descriptor: ARACHIDONIC ACID, MALONIC ACID, POLYKETIDE SYNTHASE III
Authors:Leroux, C, Meslet-Cladiere, L, Delage, L, Goulitquer, S, Leblanc, C, Ar Gall, E, Stiger-Pouvreau, V, Potin, P, Czjzek, M.
Deposit date:2012-07-03
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure/Function Analysis of a Type III Polyketide Synthase in the Brown Alga Ectocarpus Siliculosus Reveals a Biochemical Pathway in Phlorotannin Monomer Biosynthesis.
Plant Cell, 25, 2013
6HX3
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BU of 6hx3 by Molmil
PDX1.2/PDX1.3 complex
Descriptor: Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B.
Deposit date:2018-10-15
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
6HYE
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BU of 6hye by Molmil
PDX1.2/PDX1.3 complex (PDX1.3:K97A)
Descriptor: Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B.
Deposit date:2018-10-20
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
6HXG
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BU of 6hxg by Molmil
PDX1.2/PDX1.3 complex (intermediate)
Descriptor: Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B.
Deposit date:2018-10-17
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
5K3V
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BU of 5k3v by Molmil
apo-PDX1.3 (Arabidopsis)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ...
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Fitzpatrick, T.B.
Deposit date:2016-05-20
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural definition of the lysine swing in Arabidopsis thaliana PDX1: Intermediate channeling facilitating vitamin B6 biosynthesis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2Z
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BU of 5k2z by Molmil
PDX1.3-adduct (Arabidopsis)
Descriptor: 1,2-ETHANEDIOL, 2-azanylpenta-1,4-dien-3-one, CHLORIDE ION, ...
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Fitzpatrick, T.B.
Deposit date:2016-05-19
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural definition of the lysine swing in Arabidopsis thaliana PDX1: Intermediate channeling facilitating vitamin B6 biosynthesis.
Proc.Natl.Acad.Sci.USA, 113, 2016
4N7Q
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BU of 4n7q by Molmil
Crystal structure of eukaryotic THIC from A. thaliana
Descriptor: COBALT (II) ION, HEXANE-1,6-DIOL, Phosphomethylpyrimidine synthase, ...
Authors:Coquille, S.C, Roux, C, Mehta, A, Begley, T.P, Fitzpatrick, T.B, Thore, S.
Deposit date:2013-10-16
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution crystal structure of the eukaryotic HMP-P synthase (THIC) from Arabidopsis thaliana.
J.Struct.Biol., 184, 2013
4H65
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BU of 4h65 by Molmil
Crystal structure of SeMet derivative of HMP synthase Thi5 from S. cerevisiae
Descriptor: Pyrimidine precursor biosynthesis enzyme THI5
Authors:Coquille, S.C, Roux, C, Fitzpatrick, T, Thore, S.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Last Piece in the Vitamin B1 Biosynthesis Puzzle: STRUCTURAL AND FUNCTIONAL INSIGHT INTO YEAST 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE PHOSPHATE (HMP-P) SYNTHASE.
J.Biol.Chem., 287, 2012
4H6D
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BU of 4h6d by Molmil
Crystal structure of PLP-soaked HMP synthase Thi5 from S. cerevisiae
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyrimidine precursor biosynthesis enzyme THI5
Authors:Coquille, S.C, Roux, C, Fitzpatrick, T, Thore, S.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Last Piece in the Vitamin B1 Biosynthesis Puzzle: STRUCTURAL AND FUNCTIONAL INSIGHT INTO YEAST 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE PHOSPHATE (HMP-P) SYNTHASE.
J.Biol.Chem., 287, 2012
4H67
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BU of 4h67 by Molmil
Crystal structure of HMP synthase Thi5 from S. cerevisiae
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyrimidine precursor biosynthesis enzyme THI5, SULFATE ION
Authors:Coquille, S.C, Roux, C, Fitzpatrick, T, Thore, S.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Last Piece in the Vitamin B1 Biosynthesis Puzzle: STRUCTURAL AND FUNCTIONAL INSIGHT INTO YEAST 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE PHOSPHATE (HMP-P) SYNTHASE.
J.Biol.Chem., 287, 2012
2XK3
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BU of 2xk3 by Molmil
Structure of Nek2 bound to Aminopyrazine compound 35
Descriptor: 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XK4
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BU of 2xk4 by Molmil
Structure of Nek2 bound to aminopyrazine compound 17
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XNO
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BU of 2xno by Molmil
Structure of Nek2 bound to CCT243779
Descriptor: 1,2-ETHANEDIOL, 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide, CHLORIDE ION, ...
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-08-05
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
2XNM
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BU of 2xnm by Molmil
Structure of NEK2 bound to CCT
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE, ...
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-08-05
Release date:2011-03-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
6SK9
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BU of 6sk9 by Molmil
Nek2 bound to purine compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R, Byrne, M.J, Mas-Droux, C.
Deposit date:2019-08-15
Release date:2020-06-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
2XK7
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BU of 2xk7 by Molmil
Structure of Nek2 bound to aminopyrazine compound 23
Descriptor: (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XNP
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BU of 2xnp by Molmil
Structure of Nek2 bound to CCT244858
Descriptor: 1,2-ETHANEDIOL, 4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, CHLORIDE ION, ...
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-08-05
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
2XKC
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BU of 2xkc by Molmil
Structure of Nek2 bound to aminopyrazine compound 14
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XNN
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BU of 2xnn by Molmil
Structure of Nek2 bound to CCT242430
Descriptor: 1,2-ETHANEDIOL, 5-(1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide, CHLORIDE ION, ...
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-08-05
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
2XK8
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BU of 2xk8 by Molmil
Structure of Nek2 bound to aminopyrazine compound 15
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XK6
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BU of 2xk6 by Molmil
Structure of Nek2 bound to aminopyrazine compound 36
Descriptor: CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2, cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XKE
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BU of 2xke by Molmil
Structure of Nek2 bound to Aminipyrazine Compound 5
Descriptor: 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XKD
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BU of 2xkd by Molmil
Structure of Nek2 bound to aminopyrazine compound 12
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XKF
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BU of 2xkf by Molmil
Structure of Nek2 bound to aminopyrazine compound 2
Descriptor: 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2C2G
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BU of 2c2g by Molmil
Crystal structure of Threonine Synthase from Arabidopsis thaliana in complex with its cofactor pyridoxal phosphate
Descriptor: PYRIDOXAL-5'-PHOSPHATE, THREONINE SYNTHASE
Authors:Mas-Droux, C, Biou, V, Dumas, R.
Deposit date:2005-09-29
Release date:2005-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Allosteric Threonine Synthase: Reorganization of the Pyridoxal Phosphate Site Upon Asymmetric Activation Through S-Adenosylmethionine Binding to a Novel Site.
J.Biol.Chem., 281, 2006

 

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