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7UM9
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Human ALDH1A1 with bound compound CM38
分子名称: (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Hurley, T.D.
登録日2022-04-06
公開日2023-04-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Novel ALDH1A1 Inhibitor Blocks Platinum-Induced Senescence and Stemness in Ovarian Cancer.
Cancers (Basel), 14, 2022
6FIO
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DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7%
分子名称: 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6DME
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ppGpp Riboswitch bound to ppGpp, thallium acetate structure
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, THALLIUM (I) ION, ...
著者Peselis, A, Serganov, A.
登録日2018-06-05
公開日2018-11-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands.
Nat. Chem. Biol., 14, 2018
6IYB
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Structure of human ORP1 ANK - Rab7 complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Oxysterol-binding protein-related protein 1, ...
著者Tong, J, Im, Y.J.
登録日2018-12-14
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural basis of human ORP1-Rab7 interaction for the late-endosome and lysosome targeting.
PLoS ONE, 14, 2019
8RP4
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Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (D156A mutant)
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-12
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
6DJA
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ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
分子名称: Metallo-beta-lactamase type 2, ZINC ION
著者Bui, A.A, Khan, N.H, Shaw, R.W, Sutton, R.B.
登録日2018-05-24
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases.
Plos One, 14, 2019
8RMW
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Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis.
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-09
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
6DLR
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PRPP Riboswitch bound to PRPP, iridium-hexamine soaked structure
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, IRIDIUM HEXAMMINE ION, ...
著者Peselis, A, Serganov, A.
登録日2018-06-02
公開日2018-11-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.656 Å)
主引用文献ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands.
Nat. Chem. Biol., 14, 2018
8RP3
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Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (H126A mutant)
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-12
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
8RP5
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BU of 8rp5 by Molmil
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (E241A mutant)
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, TRIETHYLENE GLYCOL
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-12
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
8PQP
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Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 D62N Mutant bound to ImmH-Forodesine
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, Nucleoside 2-deoxyribosyltransferase
著者Tang, P, Harding, C.J, Czekster, M.C.
登録日2023-07-11
公開日2024-02-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.709 Å)
主引用文献Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase.
Acs Catalysis, 14, 2024
8PQT
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Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to Bis-Tris
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoside 2-deoxyribosyltransferase
著者Tang, P, Harding, C.J, Czekster, C.M.
登録日2023-07-11
公開日2024-02-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase.
Acs Catalysis, 14, 2024
7VIW
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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
8PQS
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BU of 8pqs by Molmil
Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88A Mutant
分子名称: Nucleoside 2-deoxyribosyltransferase
著者Tang, P, Harding, C.J, Czekster, C.M.
登録日2023-07-11
公開日2024-02-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase.
Acs Catalysis, 14, 2024
7VJC
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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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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
7VJ1
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class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (10 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 (2.25 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
7VJB
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BU of 7vjb by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 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 (2.1 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
7VJG
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BU of 7vjg by Molmil
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
7VJ5
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BU of 7vj5 by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (5 ms 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 (1.87 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
7VJH
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (5 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

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