8IHZ
 
 | | FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine | | 分子名称: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | 著者 | Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J. | | 登録日 | 2023-02-24 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | A small-molecule FIH inhibitor binding to a tyrosine-flip pocket ameliorates obesity and MAFLD
To Be Published
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8II0
 | | FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine | | 分子名称: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | 著者 | Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J. | | 登録日 | 2023-02-24 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | A small-molecule FIH inhibitor binding to a tyrosine-flip pocket ameliorates obesity and MAFLD
To Be Published
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5ZM4
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid C | | 分子名称: | (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-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 (1.95 Å) | | 主引用文献 | Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
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5ZM2
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5ZM3
 | | 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
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7W6F
 | | 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
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7W6E
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7W6D
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7W6G
 | | TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA | | 分子名称: | 3,5,7-trioxododecanoyl-CoA synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 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 (2.1 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
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7YBA
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7YB9
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7YBC
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7YBB
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7YB8
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7XVJ
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7Y3V
 | | 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
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7DYU
 | | 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
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7DYV
 | | 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
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7DYT
 | | 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
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7DYW
 | | 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
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7DYX
 | | 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
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7BMI
 | | 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
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7BMJ
 | | 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
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7E6J
 | | 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
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5YBQ
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