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8TI4
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BU of 8ti4 by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
分子名称: GLYCEROL, IgG1 Fab heavy chain, mutated to promote correct pairing, ...
著者Oganesyan, V.Y, van Dyk, N, Mazor, Y.
登録日2023-07-19
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
5C94
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BU of 5c94 by Molmil
Infectious bronchitis virus nsp9
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-structural protein 9
著者Chen, C, Dou, Y, Yang, H, Su, D.
登録日2015-06-26
公開日2016-06-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.438 Å)
主引用文献Structural basis for dimerization and RNA binding of avian infectious bronchitis virus nsp9.
Protein Sci., 26, 2017
3RZH
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BU of 3rzh by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
分子名称: 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
著者Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
登録日2011-05-11
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZG
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BU of 3rzg by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
分子名称: 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
著者Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
登録日2011-05-11
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZM
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BU of 3rzm by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
分子名称: 5'-D(*AP*TP*GP*TP*AP*TP*AP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
著者Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
登録日2011-05-11
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZK
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BU of 3rzk by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
分子名称: 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(EDA)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*GP*AP*CP*A)-3', ...
著者Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
登録日2011-05-11
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZJ
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BU of 3rzj by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
分子名称: 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', ...
著者Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
登録日2011-05-11
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZL
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BU of 3rzl by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
分子名称: 5'-D(*AP*TP*GP*TP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*IP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
著者Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
登録日2011-05-11
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
3PUR
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BU of 3pur by Molmil
CEKDM7A from C.Elegans, complex with D-2-HG
分子名称: (2R)-2-hydroxypentanedioic acid, FE (II) ION, Lysine-specific demethylase 7 homolog, ...
著者Yang, Y, Wang, P, Xu, W, Xu, Y.
登録日2010-12-06
公開日2011-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Cancer Cell, 19, 2011
3PUQ
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BU of 3puq by Molmil
CEKDM7A from C.Elegans, complex with alpha-KG
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ...
著者Yang, Y, Wang, P, Xu, W, Xu, Y.
登録日2010-12-06
公開日2011-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Cancer Cell, 19, 2011
7BZV
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BU of 7bzv by Molmil
Crystal structure of 2-aminomuconic 6-semialdehyde dehydrogenase from Pseudomonas species AP-3
分子名称: 2-aminomuconic 6-semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Shi, Q.L, Chen, Y.J, Su, D.
登録日2020-04-28
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献The tetrameric assembly of 2-aminomuconic 6-semialdehyde dehydrogenase is a functional requirement of cofactor NAD + binding.
Environ.Microbiol., 2021
3GXA
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BU of 3gxa by Molmil
Crystal structure of GNA1946
分子名称: METHIONINE, Outer membrane lipoprotein GNA1946, SULFATE ION
著者Yang, X, Shen, Y.
登録日2009-04-02
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of lipoprotein GNA1946 from Neisseria meningitidis
J.Struct.Biol., 168, 2009
6ADQ
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BU of 6adq by Molmil
Respiratory Complex CIII2CIV2SOD2 from Mycobacterium smegmatis
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H.
登録日2018-08-01
公開日2018-11-14
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Science, 362, 2018
6X3P
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BU of 6x3p by Molmil
Co-structure of BTK kinase domain with L-005298385 inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
3IR1
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BU of 3ir1 by Molmil
Crystal Structure of Lipoprotein GNA1946 from Neisseria meningitidis
分子名称: METHIONINE, Outer membrane lipoprotein GNA1946, SULFATE ION
著者Yang, X, Wu, Z, Wang, X, Shen, Y.
登録日2009-08-21
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of lipoprotein GNA1946 from Neisseria meningitidis
J.Struct.Biol., 168, 2009
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3O
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BU of 6x3o by Molmil
Co-structure of BTK kinase domain with L-005191930 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
3SLU
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BU of 3slu by Molmil
Crystal structure of NMB0315
分子名称: M23 peptidase domain protein, NICKEL (II) ION
著者Shen, Y, Wang, X, Yang, X, Xu, H.
登録日2011-06-26
公開日2012-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal structure of outer membrane protein NMB0315 from Neisseria meningitidis.
Plos One, 6, 2011
8J2P
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BU of 8j2p by Molmil
Crystal structure of PML B-box2
分子名称: Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhou, C, Zang, N, Zhang, J.
登録日2023-04-15
公開日2023-09-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
7YC7
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BU of 7yc7 by Molmil
Dark, fully reduced structure of the MmCPDII-DNA complex as produced at SwissFEL
分子名称: CPD photolesion containing DNA, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2022-07-01
公開日2023-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
7YCM
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BU of 7ycm by Molmil
TR-SFX MmCPDII-DNA complex: 100 ps snapshot. Includes 100ps, dark, and extrapolated structure factors
分子名称: CPD photolesion containing DNA, Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2022-07-01
公開日2023-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
7YCP
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BU of 7ycp by Molmil
TR-SFX MmCPDII-DNA complex: 250 ps snapshot. Includes 250 ps, dark, and extrapolated structure factors
分子名称: CPD photolesion containing DNA, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2022-07-01
公開日2023-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
7YD6
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BU of 7yd6 by Molmil
TR-SFX MmCPDII-DNA complex: 650 ps snapshot. Includes 650ps, dark, and extrapolated structure factors
分子名称: CPD photolesion containing DNA, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2022-07-04
公開日2023-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023

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