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5X79
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BU of 5x79 by Molmil
Human GST Pi conjugated with novel inhibitor, GS-ESF
分子名称: (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P
著者Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H.
登録日2017-02-24
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1).
Chem. Commun. (Camb.), 53, 2017
2KE4
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BU of 2ke4 by Molmil
The NMR structure of the TC10 and Cdc42 interacting domain of CIP4
分子名称: Cdc42-interacting protein 4
著者Kumeta, H, Kanoh, D, Kobashigawa, Y, Inagaki, F.
登録日2009-01-22
公開日2009-03-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The NMR structure of the TC10- and Cdc42-interacting domain of CIP4.
J.Biomol.Nmr, 44, 2009
2KBT
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BU of 2kbt by Molmil
Attachment of an NMR-invisible solubility enhancement tag (INSET) using a sortase-mediated protein ligation method
分子名称: Proto-oncogene vav,Immunoglobulin G-binding protein G
著者Kumeta, H, Kobashigawa, Y, Ogura, K, Inagaki, F.
登録日2008-12-07
公開日2009-02-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Attachment of an NMR-invisible solubility enhancement tag using a sortase-mediated protein ligation method
J.Biomol.Nmr, 43, 2009
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
7W6G
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BU of 7w6g by Molmil
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
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
2LDR
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BU of 2ldr by Molmil
Solution structure of Helix-RING domain of Cbl-b in the Tyr363 phosphorylated form
分子名称: E3 ubiquitin-protein ligase CBL-B, ZINC ION
著者Kumeta, H, Kobashigawa, Y, Inagaki, F.
登録日2011-06-01
公開日2011-12-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Autoinhibition and phosphorylation-induced activation mechanisms of human cancer and autoimmune disease-related E3 protein Cbl-b
Proc.Natl.Acad.Sci.USA, 108, 2011
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
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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BU of 7dyw by Molmil
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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BU of 7dyx by Molmil
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
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
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
7E6J
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BU of 7e6j by Molmil
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
5X17
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Crystal structure of murine CK1d in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION
著者Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T.
登録日2017-01-25
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
5X18
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Crystal structure of Casein kinase I homolog 1
分子名称: Casein kinase I homolog 1, GLYCEROL, MALONIC ACID
著者Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T.
登録日2017-01-25
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
2ZM7
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BU of 2zm7 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, S112A/G181D Mutant Complexed with 6-Aminohexanoate-dimer
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-14
公開日2009-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009
2ZM0
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Structure of 6-aminohexanoate-dimer hydrolase, G181D/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S.
登録日2008-04-10
公開日2009-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold.
Febs J., 276, 2009
2E9M
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Crystal Structure of human Cytosolic Neutral beta-Glycosylceramidase (Klotho-related Prote:KLrP) complex with Galactose and fatty acids
分子名称: Cytosolic beta-glucosidase, OLEIC ACID, PALMITIC ACID, ...
著者Kakuta, Y, Hayashi, Y, Okino, N, Ito, M.
登録日2007-01-25
公開日2007-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Klotho-related protein is a novel cytosolic neutral beta-glycosylceramidase.
J.Biol.Chem., 282, 2007
2E9L
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Crystal Structure of human Cytosolic Neutral beta-Glycosylceramidase (Klotho-related Prote:KLrP) complex with Glucose and fatty acids
分子名称: Cytosolic beta-glucosidase, GLYCEROL, OLEIC ACID, ...
著者Kakuta, Y, Hayashi, Y, Okino, N, Ito, M.
登録日2007-01-25
公開日2007-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Klotho-related protein is a novel cytosolic neutral beta-glycosylceramidase.
J.Biol.Chem., 282, 2007
1VF9
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Solution Structure Of Human Trf2
分子名称: Telomeric repeat binding factor 2
著者Nishimura, Y, Hanaoka, S.
登録日2004-04-12
公開日2005-05-17
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Comparison between TRF2 and TRF1 of their telomeric DNA-bound structures and DNA-binding activities
Protein Sci., 14, 2005

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