8UZE
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![BU of 8uze by Molmil](/molmil-images/mine/8uze) | Crystal structure of chimeric bat coronavirus BANAL-20-236 RBD complexed with chimeric mouse ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, W, Shi, K, Aihara, H, Li, F. | Deposit date: | 2023-11-15 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Crystal structure of chimeric RBD complexed with chimeric mouse ACE2 To Be Published
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7M8Q
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![BU of 7m8q by Molmil](/molmil-images/mine/7m8q) | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... | Authors: | Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D. | Deposit date: | 2021-03-30 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR. Biochemistry, 60, 2021
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7KM6
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![BU of 7km6 by Molmil](/molmil-images/mine/7km6) | APOBEC3B antibody 5G7 Fv-clasp | Descriptor: | 1,2-ETHANEDIOL, 5G7 human monoclonal FAB heavy chain, 5G7 human monoclonal FAB light chain, ... | Authors: | Tang, H, Shi, K, Aihara, H. | Deposit date: | 2020-11-02 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Characterization of a Minimal Antibody against Human APOBEC3B. Viruses, 13, 2021
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5XFA
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![BU of 5xfa by Molmil](/molmil-images/mine/5xfa) | Crystal structure of NAD+-reducing [NiFe]-hydrogenase in the H2-reduced state | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Shomura, Y, Taketa, M, Nakashima, H, Tai, H, Nakagawa, H, Ikeda, Y, Ishii, M, Igarashi, Y, Nishihara, H, Yoon, K.S, Ogo, S, Hirota, S, Higuchi, Y. | Deposit date: | 2017-04-09 | Release date: | 2017-08-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of the redox switches in the NAD(+)-reducing soluble [NiFe]-hydrogenase Science, 357, 2017
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7RWN
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![BU of 7rwn by Molmil](/molmil-images/mine/7rwn) | Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7RWP
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![BU of 7rwp by Molmil](/molmil-images/mine/7rwp) | Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one | Descriptor: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7RWQ
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![BU of 7rwq by Molmil](/molmil-images/mine/7rwq) | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one | Descriptor: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7RWO
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![BU of 7rwo by Molmil](/molmil-images/mine/7rwo) | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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6U81
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![BU of 6u81 by Molmil](/molmil-images/mine/6u81) | Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*CP*CP*CP*AP*TP*TP*AP*CP*GP*C)-3'), ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2019-09-04 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD. Faseb J., 34, 2020
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8VQR
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![BU of 8vqr by Molmil](/molmil-images/mine/8vqr) | Crystal structure of chimeric SARS-CoV-2 RBD complexed with chimeric raccoon dog ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hsueh, F.-C, Shi, K, Aihara, H, Li, F. | Deposit date: | 2024-01-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.565 Å) | Cite: | Structural basis for raccoon dog receptor recognition by SARS-CoV-2 To Be Published
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5XF9
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![BU of 5xf9 by Molmil](/molmil-images/mine/5xf9) | Crystal structure of NAD+-reducing [NiFe]-hydrogenase in the air-oxidized state | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Shomura, Y, Taketa, M, Nakashima, H, Tai, H, Nakagawa, H, Ikeda, Y, Ishii, M, Igarashi, Y, Nishihara, H, Yoon, K.S, Ogo, S, Hirota, S, Higuchi, Y. | Deposit date: | 2017-04-09 | Release date: | 2017-08-23 | Last modified: | 2017-09-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural basis of the redox switches in the NAD(+)-reducing soluble [NiFe]-hydrogenase Science, 357, 2017
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7MLR
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![BU of 7mlr by Molmil](/molmil-images/mine/7mlr) | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1- yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (DW34) | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | Authors: | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
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1IQ5
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![BU of 1iq5 by Molmil](/molmil-images/mine/1iq5) | Calmodulin/nematode CA2+/Calmodulin dependent kinase kinase fragment | Descriptor: | CA2+/CALMODULIN DEPENDENT KINASE KINASE, CALCIUM ION, CALMODULIN | Authors: | Kurokawa, H, Osawa, M, Kurihara, H, Katayama, N, Tokumitsu, H, Swindells, M.B, Kainosho, M, Ikura, M. | Deposit date: | 2001-06-14 | Release date: | 2001-09-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Target-induced conformational adaptation of calmodulin revealed by the crystal structure of a complex with nematode Ca(2+)/calmodulin-dependent kinase kinase peptide J.Mol.Biol., 312, 2001
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4NQ3
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![BU of 4nq3 by Molmil](/molmil-images/mine/4nq3) | Crystal structure of cyanuic acid hydrolase from A. caulinodans | Descriptor: | BARBITURIC ACID, Cyanuric acid amidohydrolase, MAGNESIUM ION, ... | Authors: | Cho, S, Shi, K, Aihara, H. | Deposit date: | 2013-11-23 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Cyanuric acid hydrolase from Azorhizobium caulinodans ORS 571: crystal structure and insights into a new class of Ser-Lys dyad proteins. Plos One, 9, 2014
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1Z1G
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![BU of 1z1g by Molmil](/molmil-images/mine/1z1g) | Crystal structure of a lambda integrase tetramer bound to a Holliday junction | Descriptor: | 25-MER, 29-MER, 5'-D(*AP*CP*AP*GP*GP*TP*CP*AP*CP*TP*AP*TP*CP*AP*GP*TP*CP*AP*AP*AP*AP*TP*AP*CP*C)-3', ... | Authors: | Biswas, T, Aihara, H, Radman-Livaja, M, Filman, D, Landy, A, Ellenberger, T. | Deposit date: | 2005-03-03 | Release date: | 2005-06-28 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | A structural basis for allosteric control of DNA recombination by lambda integrase. Nature, 435, 2005
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7K30
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![BU of 7k30 by Molmil](/molmil-images/mine/7k30) | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dU at the active site | Descriptor: | 1,2-ETHANEDIOL, DNA (27-MER), Endonuclease Q, ... | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | Deposit date: | 2020-09-10 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q. Proc.Natl.Acad.Sci.USA, 118, 2021
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7K31
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![BU of 7k31 by Molmil](/molmil-images/mine/7k31) | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dI at the active site | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (27-MER), ... | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | Deposit date: | 2020-09-10 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q. Proc.Natl.Acad.Sci.USA, 118, 2021
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6B0B
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![BU of 6b0b by Molmil](/molmil-images/mine/6b0b) | Crystal structure of human APOBEC3H | Descriptor: | APOBEC3H, MCherry, RNA (5'-R(*UP*AP*AP*AP*AP*AP*AP*A)-3'), ... | Authors: | Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H. | Deposit date: | 2017-09-14 | Release date: | 2017-10-25 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3.2800622 Å) | Cite: | The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism. Mol. Cell, 69, 2018
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6P7B
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![BU of 6p7b by Molmil](/molmil-images/mine/6p7b) | Crystal structure of Fowlpox virus resolvase and substrate Holliday junction DNA complex | Descriptor: | DNA (29-MER), Holliday junction resolvase | Authors: | Li, N, Shi, K, Rao, T, Banerjee, S, Aihara, H. | Deposit date: | 2019-06-05 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.317 Å) | Cite: | Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase. Sci Rep, 10, 2020
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8FR5
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![BU of 8fr5 by Molmil](/molmil-images/mine/8fr5) | Crystal structure of the Human Smacovirus 1 Rep domain | Descriptor: | MANGANESE (II) ION, Rep, SODIUM ION | Authors: | Limon, L.K, Shi, K, Dao, A, Rugloski, J, Tompkins, K.J, Aihara, H, Gordon, W.R, Evans IIII, R.L. | Deposit date: | 2023-01-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The crystal structure of the human smacovirus 1 Rep domain. Acta Crystallogr.,Sect.F, 79, 2023
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7TV2
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![BU of 7tv2 by Molmil](/molmil-images/mine/7tv2) | X-ray crystal structure of HIV-2 CA protein CTD | Descriptor: | Capsid protein p24 | Authors: | Shi, K, Aihara, H. | Deposit date: | 2022-02-03 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | HIV-2 Immature Particle Morphology Provides Insights into Gag Lattice Stability and Virus Maturation. J.Mol.Biol., 435, 2023
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5SWW
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![BU of 5sww by Molmil](/molmil-images/mine/5sww) | Crystal Structure of Human APOBEC3A complexed with ssDNA | Descriptor: | DNA 15-Mer, DNA dC->dU-editing enzyme APOBEC-3A, GLYCEROL, ... | Authors: | Shi, K, Banerjee, S, Kurahashi, K, Aihara, H. | Deposit date: | 2016-08-09 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B. Nat. Struct. Mol. Biol., 24, 2017
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8E5E
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![BU of 8e5e by Molmil](/molmil-images/mine/8e5e) | Crystal structure of double-stranded DNA deaminase toxin DddA in complex with DNA with the target cytosine flipped into the active site | Descriptor: | DNA (5'-D(*GP*CP*AP*AP*CP*GP*TP*CP*CP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*CP*GP*GP*AP*CP*GP*TP*TP*GP*C)-3'), Double-stranded DNA deaminase toxin A, ... | Authors: | Yin, L.L, Shi, K, Aihara, H. | Deposit date: | 2022-08-21 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural basis of sequence-specific cytosine deamination by double-stranded DNA deaminase toxin DddA. Nat.Struct.Mol.Biol., 30, 2023
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7MC6
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![BU of 7mc6 by Molmil](/molmil-images/mine/7mc6) | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | Deposit date: | 2021-04-01 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MC5
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![BU of 7mc5 by Molmil](/molmil-images/mine/7mc5) | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ... | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | Deposit date: | 2021-04-01 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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