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7VJJ
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BU of 7vjj by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 us time-point)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VGU
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BU of 7vgu by Molmil
Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3 : structure obtained 1 msec after photoexcitation with bromide ion
分子名称: BROMIDE ION, Chloride pumping rhodopsin, DECANE, ...
著者Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M.
登録日2021-09-18
公開日2022-02-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VGT
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Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3: resting state structure with bromide ion
分子名称: BROMIDE ION, Chloride pumping rhodopsin, DECANE, ...
著者Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M.
登録日2021-09-18
公開日2022-02-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VGV
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Anion free form of light-driven chloride ion-pumping rhodopsin, NM-R3, structure determined by serial femtosecond crystallography at SACLA
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, HEXADECANE, ...
著者Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M.
登録日2021-09-18
公開日2022-02-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VJC
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BU of 7vjc by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (100 ns time-point)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ2
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class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (125 us time-point)
分子名称: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VIZ
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BU of 7viz by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (250 ns time-point)
分子名称: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ9
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (semiquinone dark structure)
分子名称: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJK
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BU of 7vjk by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (100 us time-point)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJG
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (1 us time-point)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VIW
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BU of 7viw by Molmil
Dark adapted MmCPDII during oxidized to semiquinone TR-SFX studies
分子名称: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ3
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BU of 7vj3 by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (400 us time-point)
分子名称: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
5WS3
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BU of 5ws3 by Molmil
Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA
分子名称: N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ...
著者Suno, R, Kimura, K, Nakane, T, Yamashita, K, Wang, J, Fujiwara, T, Yamanaka, Y, Im, D, Tsujimoto, H, Sasanuma, M, Horita, S, Hirokawa, T, Nango, E, Tono, K, Kameshima, T, Hatsui, T, Joti, Y, Yabashi, M, Shimamoto, K, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T.
登録日2016-12-05
公開日2017-12-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA.
Structure, 26, 2018
5XFE
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BU of 5xfe by Molmil
Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
著者Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
登録日2017-04-10
公開日2017-08-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
6T3L
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BU of 6t3l by Molmil
PAS-GAF fragment from Deinococcus radiodurans phytochrome in dark state
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S.
登録日2019-10-11
公開日2020-04-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser.
Elife, 9, 2020
6T3U
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BU of 6t3u by Molmil
PAS-GAF fragment from Deinococcus radiodurans phytochrome 1ps after photoexcitation
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S.
登録日2019-10-11
公開日2020-04-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser.
Elife, 9, 2020
5JOO
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BU of 5joo by Molmil
XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2016-05-02
公開日2017-08-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.413 Å)
主引用文献XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
9Q8F
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BU of 9q8f by Molmil
Structure of the (6-4) photolyase of Caulobacter crescentus with K48A mutation in its dark adapted and oxidized state determined by synchrotron
分子名称: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, CHLORIDE ION, Cryptochrome/photolyase family protein, ...
著者Po Hsun, W, Maestre-Reyna, M, Essen, L.-O.
登録日2025-02-24
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Redox-State-Dependent Structural Changes within a Prokaryotic 6-4 Photolyase.
J.Am.Chem.Soc., 147, 2025
5D9B
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BU of 5d9b by Molmil
Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against native data)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION
著者Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
5D9D
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BU of 5d9d by Molmil
Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
著者Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
登録日2015-08-18
公開日2015-09-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
5D9C
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BU of 5d9c by Molmil
Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
著者Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
8WDT
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BU of 8wdt by Molmil
Crystal structure of the human adenosine A2A receptor in complex with photoresponsive ligand photoNECA(blue)
分子名称: (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide, Adenosine receptor A2a, Antibody Fab fragment heavy chain, ...
著者Araya, T, Asada, H, Iwata, S, Im, D.H.
登録日2023-09-16
公開日2024-01-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Crystal structure reveals the binding mode and selectivity of a photoswitchable ligand for the adenosine A 2A receptor.
Biochem.Biophys.Res.Commun., 695, 2023
5TTC
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BU of 5ttc by Molmil
XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2016-11-02
公開日2017-08-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7AZT
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BU of 7azt by Molmil
X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at room temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, RE11660p
著者Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S, Pandey, S.
登録日2020-11-17
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
7AYV
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X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ...
著者Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S.
登録日2020-11-13
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021

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