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PDB: 95 件

5ZM3
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Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid B
分子名称: (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ...
著者Nakashima, Y, Senda, T.
登録日2018-04-01
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6RUJ
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Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-(D)3-hydroxy-Leu, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
著者Nakashima, Y, McDonough, M.A, Schofield, C.J.
登録日2019-05-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献A human protein hydroxylase that accepts D-residues
Commun Chem, 2020
8GQ9
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Crystal structure of lasso peptide epimerase MslH
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
著者Nakashima, Y, Morita, H.
登録日2022-08-29
公開日2023-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8GQA
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Crystal structure of lasso peptide epimerase MslH in complexed with precursor peptide analog MslAdeltaW21
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein), ...
著者Nakashima, Y, Morita, H.
登録日2022-08-29
公開日2023-06-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8GQB
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Crystal structure of lasso peptide epimerase MslH D11A mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Nakashima, Y, Morita, H.
登録日2022-08-29
公開日2023-06-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
7BMJ
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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
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
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
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
7DYU
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BU of 7dyu by Molmil
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
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
7Y3V
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BU of 7y3v by Molmil
Crystal structure of CdpNPT in complex with harmane
分子名称: 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
著者Nakashima, Y, Morita, H.
登録日2022-06-13
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity.
J.Biosci.Bioeng., 134, 2022
7XVJ
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BU of 7xvj by Molmil
Crystal structure of CdpNPT in complex with harmol
分子名称: 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
著者Nakashima, Y, Morita, H.
登録日2022-05-24
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase.
J Nat Med, 76, 2022
7YBC
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Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
分子名称: (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YB8
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BU of 7yb8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
分子名称: (2R)-2-hydroxypentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YBB
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Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
分子名称: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YBA
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Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
分子名称: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
To Be Published
7YB9
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Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
分子名称: (2S)-2-HYDROXYPENTANEDIOIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7W6F
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BU of 7w6f by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-nonylresorcylic acid
分子名称: 2-nonyl-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, Olivetolic acid cyclase
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7W6E
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BU of 7w6e by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-heptylresorcylic acid
分子名称: 2-heptyl-4,6-bis(oxidanyl)benzoic acid, Olivetolic acid cyclase
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7W6D
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BU of 7w6d by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with olivetolic acid
分子名称: 2,4-bis(oxidanyl)-6-pentyl-benzoic acid, Olivetolic acid cyclase
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
6YYW
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BU of 6yyw by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
分子名称: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-06
公開日2021-03-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6Z6Q
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BU of 6z6q by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
分子名称: (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-29
公開日2021-03-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020

 

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