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4ZM7
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BU of 4zm7 by Molmil
PcCel45A N105D mutatnt at cryo condition
分子名称: Endoglucanase V-like protein
著者Nakamura, A, Ishida, T, Samejima, M, Igarashi, K.
登録日2015-05-02
公開日2015-09-02
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (0.701 Å)
主引用文献"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
7YK9
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BU of 7yk9 by Molmil
Neutron Structure of PcyA I86D Mutant Complexed with Biliverdin at Room Temperature
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase
著者Unno, M, Igarashi, K.
登録日2022-07-22
公開日2023-01-25
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
7YKB
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BU of 7ykb by Molmil
Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION
著者Unno, M, Nanasawa, R.
登録日2022-07-22
公開日2023-01-25
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
7YL8
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BU of 7yl8 by Molmil
Neutron structure of Bacillus thermoproteolyticus Ferredoxin at room temperature
分子名称: Ferredoxin, IRON/SULFUR CLUSTER
著者Unno, M, Wada, K, Kobayashi, K.
登録日2022-07-25
公開日2024-02-07
実験手法NEUTRON DIFFRACTION (1.45 Å), X-RAY DIFFRACTION
主引用文献Protonation/deprotonation-driven switch for the redox stability of the low-potential [4Fe-4S] ferredoxin
To Be Published
7WNP
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BU of 7wnp by Molmil
Crystallographic structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 determined by both X-ray and neutron diffraction data at 1.72 angstrom resolution.
分子名称: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
著者Murakawa, T, Okajima, T.
登録日2022-01-19
公開日2022-04-20
最終更新日2022-05-25
実験手法NEUTRON DIFFRACTION (1.72 Å), X-RAY DIFFRACTION
主引用文献Re-evaluation of protein neutron crystallography with and without X-ray/neutron joint refinement.
Iucrj, 9, 2022
7WNO
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BU of 7wno by Molmil
Crystallographic structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 determined by only neutron diffraction data.
分子名称: COPPER (II) ION, Phenylethylamine oxidase
著者Murakawa, T, Okajima, T.
登録日2022-01-19
公開日2022-04-20
最終更新日2022-05-25
実験手法NEUTRON DIFFRACTION (1.72 Å)
主引用文献Re-evaluation of protein neutron crystallography with and without X-ray/neutron joint refinement.
Iucrj, 9, 2022
7XVX
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BU of 7xvx by Molmil
Neutron crystal structure of human macrophage migration inhibitory factor
分子名称: Macrophage migration inhibitory factor
著者Ezawa, T, Tamada, T, Odaka, M, Matsumura, H.
登録日2022-05-25
公開日2023-05-31
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献Neutron crystal structure of human macrophage migration inhibitory factor
To Be Published
8W6X
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BU of 8w6x by Molmil
Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Hiromoto, T, Tamada, T.
登録日2023-08-30
公開日2023-09-13
最終更新日2023-11-15
実験手法NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION
主引用文献New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase.
Chem Sci, 14, 2023
8J6G
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BU of 8j6g by Molmil
Neutron structure of copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pD 9.0
分子名称: 2-PHENYLETHYLAMINE, COPPER (II) ION, Phenylethylamine oxidase, ...
著者Murakawa, T, Okajima, T.
登録日2023-04-25
公開日2023-09-20
実験手法NEUTRON DIFFRACTION (1.09 Å), X-RAY DIFFRACTION
主引用文献Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor
Acs Catalysis, 2023
8Z57
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BU of 8z57 by Molmil
Crystal structure of human Q140L-SIRT5 in complex with succinylated Prx1 fragment and ADP ribose
分子名称: ADENOSINE-5'-DIPHOSPHATE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
著者Yokoyama, T, Takayama, Y.
登録日2024-04-18
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献SIRT5 mutants reveal the role of conserved asparagine and glutamine residues in the NAD + -binding pocket.
Febs Lett., 598, 2024
8Z55
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BU of 8z55 by Molmil
Crystal structure of human SIRT5 in complex with succPrx1 and ADP ribose
分子名称: ADENOSINE-5'-DIPHOSPHATE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
著者Yokoyama, T, Takayama, Y.
登録日2024-04-18
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献SIRT5 mutants reveal the role of conserved asparagine and glutamine residues in the NAD + -binding pocket.
Febs Lett., 598, 2024
8Z58
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BU of 8z58 by Molmil
Crystal structure of human N141V-SIRT5 in complex with succinylated Prx1 fragment
分子名称: CHLORIDE ION, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
著者Yokoyama, T, Takayama, Y.
登録日2024-04-18
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献SIRT5 mutants reveal the role of conserved asparagine and glutamine residues in the NAD + -binding pocket.
Febs Lett., 598, 2024
8Z54
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BU of 8z54 by Molmil
Crystal structure of human SIRT5 in complex with succinylated Prx1 fragment
分子名称: DIMETHYL SULFOXIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
著者Yokoyama, T, Takayama, Y.
登録日2024-04-18
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献SIRT5 mutants reveal the role of conserved asparagine and glutamine residues in the NAD + -binding pocket.
Febs Lett., 598, 2024
8Z56
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BU of 8z56 by Molmil
Crystal structure of human Q140L-SIRT5 in complex with succinylated Prx1 fragment
分子名称: CHLORIDE ION, GLYCEROL, NAD-dependent protein deacylase sirtuin-5, ...
著者Yokoyama, T, Takayama, Y.
登録日2024-04-18
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.806 Å)
主引用文献SIRT5 mutants reveal the role of conserved asparagine and glutamine residues in the NAD + -binding pocket.
Febs Lett., 598, 2024
8IE8
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BU of 8ie8 by Molmil
Crystal structure of DAPK1 in complex with isorhapontigenin
分子名称: 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol, Death-associated protein kinase 1, SULFATE ION
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE7
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BU of 8ie7 by Molmil
Crystal structure of DAPK1 in complex with pterostilbene
分子名称: Death-associated protein kinase 1, Pterostilbene, SULFATE ION
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE6
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BU of 8ie6 by Molmil
Crystal structure of DAPK1 in complex with pinostilbene
分子名称: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, Death-associated protein kinase 1, SULFATE ION
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE5
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BU of 8ie5 by Molmil
Crystal structure of DAPK1 in complex with oxyresveratrol
分子名称: Death-associated protein kinase 1, SULFATE ION, trans-oxyresveratrol
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IG1
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BU of 8ig1 by Molmil
Crystal structure of wild-type transthyretin in complex with rafoxanide
分子名称: SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide
著者Yokoyama, T.
登録日2023-02-20
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin.
Febs J., 290, 2023
8W42
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BU of 8w42 by Molmil
X-ray crystal structure of V30M-TTR in complex with resveratrol
分子名称: RESVERATROL, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W44
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BU of 8w44 by Molmil
X-ray crystal structure of V30M-TTR in complex with oxyresveratrol
分子名称: SODIUM ION, Transthyretin, trans-oxyresveratrol
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W46
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BU of 8w46 by Molmil
X-ray crystal structure of V30M-TTR in complex with pterostilbene
分子名称: Pterostilbene, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W43
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BU of 8w43 by Molmil
X-ray crystal structure of V30M-TTR in complex with piceatannol
分子名称: PICEATANNOL, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W45
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BU of 8w45 by Molmil
X-ray crystal structure of V30M-TTR in complex with pinostilbene
分子名称: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
8W47
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BU of 8w47 by Molmil
X-ray crystal structure of V30M-TTR in complex with isorhapontigenin
分子名称: 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol, SODIUM ION, Transthyretin
著者Yokoyama, T.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023

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