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PDB: 165 件

7E6J
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Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, GLYCEROL, PROPANOIC ACID, ...
著者Nakashima, Y, Brasnett, A, Brewitz, L, Schofield, C.J.
登録日2021-02-22
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human Oxygenase Variants Employing a Single Protein Fe II Ligand Are Catalytically Active.
Angew.Chem.Int.Ed.Engl., 60, 2021
7BMI
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Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser)
分子名称: 3-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-20
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
7DYV
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Human JMJD5 in complex with MN and 5-(benzylamino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-(benzylamino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7DYW
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Human JMJD5 in complex with MN and 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7DYT
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Human JMJD5 in complex with MN and 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7DYX
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Human JMJD5 in complex with MN and 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7DYU
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Human JMJD5 in complex with MN and 5-((4-phenylbutyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
5YBQ
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A2
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBM
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA
分子名称: PrhA
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.115 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBR
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A3
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.261 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBO
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA in complex with preaustinoid A1
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBL
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AusE
分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Multifunctional dioxygenase ausE
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBT
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S/M241V in complex with berkeleyone A
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBS
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BU of 5ybs by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with berkeleyone A
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBN
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BU of 5ybn by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA in complex with (alpha)ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBP
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BU of 5ybp by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A1
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
著者Nakashima, Y, Senda, M.
登録日2017-09-05
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
3IE4
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BU of 3ie4 by Molmil
b-glucan binding domain of Drosophila GNBP3 defines a novel family of pattern recognition receptor
分子名称: 1,2-ETHANEDIOL, Gram-Negative Binding Protein 3, ZINC ION
著者Mishima, Y, Coste, F, Kellenberger, C, Roussel, A.
登録日2009-07-22
公開日2009-08-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The N-terminal domain of drosophila gram-negative binding protein 3 (GNBP3) defines a novel family of fungal pattern recognition receptors
To be Published
3VWR
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BU of 3vwr by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3VWM
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BU of 3vwm by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187A/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3VWL
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BU of 3vwl by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3VWQ
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BU of 3vwq by Molmil
6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
to be published
3VWP
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BU of 3vwp by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
to be published
3VWN
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BU of 3vwn by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
7BMJ
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BU of 7bmj by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser)
分子名称: 5-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-20
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
3VI2
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Crystal Structure Analysis of Plasmodium falciparum OMP Decarboxylase in complex with inhibitor HMOA
分子名称: 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid, Orotidine 5'-phosphate decarboxylase, SODIUM ION
著者Takashima, Y, Mizohata, E, Krungkrai, S.R, Matsumura, H, Krungkrai, J, Horii, T, Inoue, T.
登録日2011-09-16
公開日2012-08-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The in silico screening and X-ray structure analysis of the inhibitor complex of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase
J.Biochem., 152, 2012

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