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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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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6BUR
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![BU of 6bur by Molmil](/molmil-images/mine/6bur) | |
6BUM
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![BU of 6bum by Molmil](/molmil-images/mine/6bum) | Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica | Descriptor: | 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Shi, K, Cho, S, Seffernick, J.L, Bera, A, Wackett, L.P, Aihara, H. | Deposit date: | 2017-12-11 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis. Plos One, 14, 2019
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6BUP
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![BU of 6bup by Molmil](/molmil-images/mine/6bup) | Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with cyanuric acid | Descriptor: | 1,3,5-triazine-2,4,6-triol, 1,3-PROPANDIOL, CALCIUM ION, ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2017-12-11 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis. Plos One, 14, 2019
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6BUN
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![BU of 6bun by Molmil](/molmil-images/mine/6bun) | |
6CC2
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![BU of 6cc2 by Molmil](/molmil-images/mine/6cc2) | Crystal Structure of CDC45 from Entamoeba histolytica | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cell division control protein 45 cdc45 putative, ... | Authors: | Shi, K, Kurniawan, F, Kurahashi, K, Bielinsky, A, Aihara, H. | Deposit date: | 2018-02-05 | Release date: | 2018-06-27 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal Structure ofEntamoeba histolyticaCdc45 Suggests a Conformational Switch that May Regulate DNA Replication. iScience, 3, 2018
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6BUO
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6BUQ
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![BU of 6buq by Molmil](/molmil-images/mine/6buq) | |
6CWJ
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![BU of 6cwj by Molmil](/molmil-images/mine/6cwj) | Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid | Descriptor: | 1,3-PROPANDIOL, 3-oxopentanedioic acid, ACETATE ION, ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2018-03-30 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis. Plos One, 14, 2019
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6VW1
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![BU of 6vw1 by Molmil](/molmil-images/mine/6vw1) | Structure of SARS-CoV-2 chimeric receptor-binding domain complexed with its receptor human ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shang, J, Ye, G, Shi, K, Wan, Y.S, Aihara, H, Li, F. | Deposit date: | 2020-02-18 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural basis of receptor recognition by SARS-CoV-2. Nature, 581, 2020
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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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6U82
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![BU of 6u82 by Molmil](/molmil-images/mine/6u82) | |
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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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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4F43
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![BU of 4f43 by Molmil](/molmil-images/mine/4f43) | |
4F41
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![BU of 4f41 by Molmil](/molmil-images/mine/4f41) | |
4E0Z
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![BU of 4e0z by Molmil](/molmil-images/mine/4e0z) | Protelomerase tela R205A covalently complexed with substrate DNA | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*CP*A*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), GLYCEROL, ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2012-03-05 | Release date: | 2013-02-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation. Plos Biol., 11, 2013
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4E0P
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![BU of 4e0p by Molmil](/molmil-images/mine/4e0p) | Protelomerase tela covalently complexed with substrate DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2012-03-05 | Release date: | 2013-02-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation. Plos Biol., 11, 2013
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4E0J
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![BU of 4e0j by Molmil](/molmil-images/mine/4e0j) | Protelomerase tela R255A mutant complexed with DNA hairpin product | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2012-03-04 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation. Plos Biol., 11, 2013
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4E0Y
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![BU of 4e0y by Molmil](/molmil-images/mine/4e0y) | Protelomerase tela covalently complexed with mutated substrate DNA | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), DNA (5'-D(*CP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), GLYCEROL, ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2012-03-05 | Release date: | 2013-02-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation. Plos Biol., 11, 2013
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4F1I
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4F1H
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![BU of 4f1h by Molmil](/molmil-images/mine/4f1h) | Crystal structure of TDP2 from Danio rerio complexed with a single strand DNA | Descriptor: | DNA (5'-D(P*TP*GP*CP*AP*G)-3'), GLYCEROL, MAGNESIUM ION, ... | Authors: | Shi, K, Kurahashi, K, Aihara, H. | Deposit date: | 2012-05-06 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2. Nat.Struct.Mol.Biol., 19, 2012
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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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