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PDB: 532 件
4BCI
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BU of 4bci by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-01-09
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCH
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BU of 4bch by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ...
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-01-09
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.958 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
6K3H
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BU of 6k3h by Molmil
Crystallographic Analysis of Nucleoside Diphosphate Kinase (NDK) from Aspergillus Flavus
分子名称: Nucleoside diphosphate kinase
著者Wang, Y, Wang, S, Wang, S.H.
登録日2019-05-18
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.179 Å)
主引用文献Molecular and structural basis of nucleoside diphosphate kinase-mediated regulation of spore and sclerotia development in the fungusAspergillus flavus.
J.Biol.Chem., 294, 2019
7WI0
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BU of 7wi0 by Molmil
SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
著者Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
登録日2022-01-01
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
4ZN7
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BU of 4zn7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol
分子名称: DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-04
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.934 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZNV
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BU of 4znv by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative
分子名称: 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZNS
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BU of 4zns by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative
分子名称: 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZNU
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BU of 4znu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methyl-substituted OBHS derivative
分子名称: 2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZNW
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BU of 4znw by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative
分子名称: 4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
7H0L
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BU of 7h0l by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011436-001
分子名称: 4-{[(S)-cyclopropyl(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)methyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3
著者Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
登録日2024-01-23
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
4ZNH
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BU of 4znh by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Fluoro-substituted OBHS derivative
分子名称: 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-04
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZNT
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BU of 4znt by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Bromo-substituted OBHS derivative
分子名称: 3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
7WC8
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BU of 7wc8 by Molmil
Crystal structure of serotonin 2A receptor in complex with lumateperone
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
6A1Z
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BU of 6a1z by Molmil
Crystal Structure of dimeric Kinesin-3 KIF13B
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin family member 13B, MAGNESIUM ION
著者Ren, J.Q, Wang, S, Feng, W.
登録日2018-06-08
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Coiled-coil 1-mediated fastening of the neck and motor domains for kinesin-3 autoinhibition.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3AKB
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BU of 3akb by Molmil
Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein
分子名称: CALCIUM ION, Putative calcium binding protein
著者Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M.
登録日2010-07-09
公開日2011-01-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein
Protein Cell, 1, 2010
5DIE
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BU of 5die by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol
分子名称: (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-08-31
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DID
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BU of 5did by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
分子名称: (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-08-31
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DI7
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BU of 5di7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol
分子名称: (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-08-31
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.241 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DIG
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BU of 5dig by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol
分子名称: (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-01
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
2FFS
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BU of 2ffs by Molmil
Structure of PR10-allergen-like protein PA1206 from Pseudomonas aeruginosa PAO1
分子名称: hypothetical protein PA1206
著者Zimmerman, M.D, Chruszcz, M, Cymborowski, M.T, Wang, S, Kirillova, O, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2005-12-20
公開日2006-01-10
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of PR10-Allergen-Like Protein PA1206 From Pseudomonas aeruginosa PAO1
To be Published
4Y49
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BU of 4y49 by Molmil
Crystal structure of yeast N-terminal acetyltransferase (ppGpp) NatE in complex with a bisubstrate
分子名称: ACETYL COENZYME *A, ALA-ALA-ALA-ALA-ALA-ALA, CARBOXYMETHYL COENZYME *A, ...
著者Dong, J, Wang, S, York, J.D.
登録日2015-02-10
公開日2016-07-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Crystal structure of yeast N-terminal acetyltransferase (ppGpp) NatE in complex with a bisubstrate
To Be Published
8Z9U
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BU of 8z9u by Molmil
Crystal structure of the Methermicoccus shengliensis ZC-1 2-methoxybenzoic acid methyltransferase (MtxA)
分子名称: Tetrahydromethanopterin S-methyltransferase subunit H
著者Yang, Q, Wang, S.X, Bai, L.P.
登録日2024-04-23
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of the Methermicoccus shengliensis ZC-1 2-methoxybenzoic acid methyltransferase (MtxA)
To Be Published
3CVT
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BU of 3cvt by Molmil
Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Cytosine Base Pair
分子名称: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*(8OG)P*DAP*DGP*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DCP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
著者Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
登録日2008-04-19
公開日2008-09-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
8FF4
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BU of 8ff4 by Molmil
Cryo-EM structure of Cascade-DNA-TniQ-TnsC complex (composite) in type I-B CAST system
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-target DNA strand, ...
著者Chang, L, Wang, S.
登録日2022-12-07
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
3CWU
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BU of 3cwu by Molmil
Crystal Structure of an AlkA Host/Guest Complex 2'-fluoro-2'-deoxy-1,N6-ethenoadenine:Thymine Base Pair
分子名称: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(2FE)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DTP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
著者Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
登録日2008-04-22
公開日2008-09-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008

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