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6LIN
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BU of 6lin by Molmil
Crystal structure of human PDK2 complexed with GM10030
分子名称: 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kang, J, Kim, J.
登録日2019-12-12
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
6LIO
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BU of 6lio by Molmil
Crystal structure of human PDK2 complexed with GM67520
分子名称: 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid, GLYCEROL, SULFATE ION, ...
著者Kang, J, Kim, J.
登録日2019-12-12
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
6LIL
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BU of 6lil by Molmil
Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c
分子名称: 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Kang, J, Kim, J.
登録日2019-12-12
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
8WZG
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BU of 8wzg by Molmil
SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 10 ns after photoexcitation at RT.
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T.
登録日2023-11-01
公開日2024-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography.
Nat Commun, 15, 2024
8WZV
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BU of 8wzv by Molmil
SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation with 40 microJoules laser intensity at RT.
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T.
登録日2023-11-02
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography.
Nat Commun, 15, 2024
8WZR
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BU of 8wzr by Molmil
SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 100 ns after photoexcitation at RT.
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T.
登録日2023-11-02
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography.
Nat Commun, 15, 2024
8WZT
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BU of 8wzt by Molmil
SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation at RT.
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T.
登録日2023-11-02
公開日2024-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography.
Nat Commun, 15, 2024
8WZF
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BU of 8wzf by Molmil
Dark state SFX structure of hen egg white lysozyme microcrystals immobilized with a Mn carbonyl complex at RT.
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T.
登録日2023-11-01
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography.
Nat Commun, 15, 2024
5XVC
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BU of 5xvc by Molmil
[NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in a ferricyanide-oxidized condition
分子名称: DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, FE4-S4-O CLUSTER, ...
著者Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y.
登録日2017-06-27
公開日2018-06-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2.
Chem.Commun.(Camb.), 54, 2018
5XVB
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BU of 5xvb by Molmil
[NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in an H2-reduced condition
分子名称: FE3-S4 CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y.
登録日2017-06-27
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2.
Chem.Commun.(Camb.), 54, 2018
5XVD
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BU of 5xvd by Molmil
[NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in an air-oxidized condition
分子名称: FE3-S4 CLUSTER, FE4-S4-O CLUSTER, GLYCEROL, ...
著者Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y.
登録日2017-06-27
公開日2018-06-27
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2.
Chem.Commun.(Camb.), 54, 2018
5CJ9
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BU of 5cj9 by Molmil
Bacillus halodurans Arginine repressor, ArgR
分子名称: Arginine repressor, S-1,2-PROPANEDIOL
著者Park, Y.W, Kang, J, Yeo, H.Y, Lee, J.Y.
登録日2015-07-14
公開日2016-06-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Structural Analysis and Insights into the Oligomeric State of an Arginine-Dependent Transcriptional Regulator from Bacillus halodurans.
Plos One, 11, 2016
3OK8
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BU of 3ok8 by Molmil
I-BAR OF PinkBAR
分子名称: Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 2, GLYCEROL
著者Boczkowska, M, Rebowski, G, Saarikangas, J, Lappalainen, P, Dominguez, R.
登録日2010-08-24
公開日2011-07-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Pinkbar is an epithelial-specific BAR domain protein that generates planar membrane structures.
Nat.Struct.Mol.Biol., 18, 2011
5N9Q
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BU of 5n9q by Molmil
Structure of A. thaliana RCD1(468-567)
分子名称: Inactive poly [ADP-ribose] polymerase RCD1
著者Tossavainen, H, Hellman, M, Vainonen, J, Kangasjarvi, J, Permi, P.
登録日2017-02-27
公開日2018-03-14
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Arabidopsis RCD1 coordinates chloroplast and mitochondrial functions through interaction with ANAC transcription factors.
Elife, 8, 2019
1EET
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BU of 1eet by Molmil
HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204
分子名称: 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE
著者Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K.
登録日2000-02-03
公開日2001-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.
J.Med.Chem., 42, 1999
4R8Q
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BU of 4r8q by Molmil
Structure and substrate recruitment of the human spindle checkpoint kinase bub1
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1
著者Tomchick, D.R, Yu, H.
登録日2014-09-02
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure and substrate recruitment of the human spindle checkpoint kinase Bub1.
Mol.Cell, 32, 2008
3Q6S
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BU of 3q6s by Molmil
The crystal structure of the heterochromatin protein 1 beta chromoshadow domain complexed with a peptide from Shugoshin 1
分子名称: Chromobox protein homolog 1, Shugoshin-like 1
著者Brautigam, C.A, Chaudhary, J, Yu, H.
登録日2011-01-03
公開日2011-12-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mitotic centromeric targeting of HP1 and its binding to Sgo1 are dispensable for sister-chromatid cohesion in human cells.
Mol Biol Cell, 22, 2011
5KN1
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BU of 5kn1 by Molmil
Recombinant bovine skeletal calsequestrin, high-Ca2+ form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Lewis, K.M, Byrd, S, Kang, C.
登録日2016-06-27
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle.
Int J Mol Sci, 17, 2016
5KN0
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BU of 5kn0 by Molmil
Native bovine skeletal calsequestrin, low-Ca2+ form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lewis, K.M, Byrd, S, Kang, C.
登録日2016-06-27
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.729 Å)
主引用文献Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle.
Int J Mol Sci, 17, 2016
5KN2
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BU of 5kn2 by Molmil
Native bovine skeletal calsequestrin, high-Ca2+ form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Calsequestrin
著者Lewis, K.M, Byrd, S.S, Kang, C.
登録日2016-06-27
公開日2016-10-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle.
Int J Mol Sci, 17, 2016
5KN3
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BU of 5kn3 by Molmil
Recombinant bovine skeletal calsequestrin, low-Ca2+ form
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Lewis, K.M, Byrd, S, Kang, C.
登録日2016-06-27
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle.
Int J Mol Sci, 17, 2016
8X9G
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BU of 8x9g by Molmil
Crystal structure of CO dehydrogenase mutant in complex with BV
分子名称: 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9F
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BU of 8x9f by Molmil
Crystal structure of CO dehydrogenase mutant in complex with EV
分子名称: 1,2-ETHANEDIOL, 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium, Carbon monoxide dehydrogenase 2, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9H
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BU of 8x9h by Molmil
Crystal structure of CO dehydrogenase mutant (F41C)
分子名称: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9E
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BU of 8x9e by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration
分子名称: 1,2-ETHANEDIOL, Carbon monoxide dehydrogenase 2, FE (III) ION, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024

 

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