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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6CA4
| Crystal structure of humanized D. rerio TDP2 by 14 mutations | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Shi, K, Aihrara, H. | Deposit date: | 2018-01-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2). Eur J Pharm Sci, 118, 2018
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6PAK
| Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E | Authors: | Tang, H, Shi, K, Aihara, H. | Deposit date: | 2019-06-11 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy. J.Biol.Chem., 294, 2019
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6E8C
| Crystal structure of the double homeodomain of DUX4 in complex with DNA | Descriptor: | 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*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4 | Authors: | Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H. | Deposit date: | 2018-07-27 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA. Cell Rep, 25, 2018
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6WDZ
| Porcine circovirus 2 Rep domain complexed with a single-stranded DNA 10-mer comprising the cleavage site | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent helicase Rep, DNA (5'-D(*TP*AP*GP*TP*AP*TP*TP*AP*CP*C)-3'), ... | Authors: | Litzau, L.A, Tompkins, K, Shi, K, Nelson, A, Evans III, R.L, Gordon, W.R. | Deposit date: | 2020-04-01 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering. Nucleic Acids Res., 49, 2021
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6WE0
| Wheat dwarf virus Rep domain complexed with a single-stranded DNA 10-mer comprising the cleavage site | Descriptor: | DNA (5'-D(*TP*AP*AP*TP*AP*TP*TP*AP*CP*C)-3'), MANGANESE (II) ION, Replication-associated protein | Authors: | Tompkins, K, Litzau, L.A, Shi, K, Nelson, A, Evans III, R.L, Gordon, W.R. | Deposit date: | 2020-04-01 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering. Nucleic Acids Res., 49, 2021
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6Q1M
| Crystal structure of the wheat dwarf virus Rep domain | Descriptor: | GLYCEROL, Replication-associated protein | Authors: | Litzau, L.A, Everett, B.A, Evans III, R.L, Shi, K, Tompkins, K, Gordon, W.R. | Deposit date: | 2019-08-05 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of the Wheat dwarf virus Rep domain. Acta Crystallogr.,Sect.F, 75, 2019
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7R9C
| Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | Authors: | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-06-29 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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6VOY
| Cryo-EM structure of HTLV-1 instasome | Descriptor: | DNA (25-MER), DNA (5'-D(P*AP*CP*AP*CP*AP*CP*TP*TP*GP*AP*CP*TP*AP*GP*GP*GP*TP*G)-3'), DNA-binding protein 7d, ... | Authors: | Bhatt, V, Shi, K, Sundborger, A, Aihara, H. | Deposit date: | 2020-02-01 | Release date: | 2020-07-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of host protein hijacking in human T-cell leukemia virus integration. Nat Commun, 11, 2020
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7RXR
| Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7RXS
| Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7RXT
| Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7RW6
| BORF2-APOBEC3Bctd Complex | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3B, Maltose/maltodextrin-binding periplasmic protein,Ribonucleoside-diphosphate reductase large subunit, ZINC ION | Authors: | Shaban, N.M, Yan, R, Shi, K, McLellan, J.S, Yu, Z, Harris, R.S. | Deposit date: | 2021-08-19 | Release date: | 2022-04-27 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Cryo-EM structure of the EBV ribonucleotide reductase BORF2 and mechanism of APOBEC3B inhibition. Sci Adv, 8, 2022
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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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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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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
| 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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8SPH
| Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with 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: | Zhang, W, Shi, K, Aihara, H, Li, F. | Deposit date: | 2023-05-03 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural evolution of SARS-CoV-2 omicron in human receptor recognition. J.Virol., 97, 2023
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8SPI
| Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with 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: | Zhang, W, Shi, K, Aihara, H, Li, F. | Deposit date: | 2023-05-03 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structural evolution of SARS-CoV-2 omicron in human receptor recognition. J.Virol., 97, 2023
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1FUF
| CRYSTAL STRUCTURE OF A 14BP RNA OLIGONUCLEOTIDE CONTAINING DOUBLE UU BULGES: A NOVEL INTRAMOLECULAR U*(AU) BASE TRIPLE | Descriptor: | (5'-R(*GP*GP*UP*AP*UP*UP*UP*CP*GP*GP*UP*AP*(CBR)P*C)-3'), MAGNESIUM ION, SPERMINE | Authors: | Deng, J, Xiong, Y, Sudarsanakumar, C, Shi, K, Sundaralingam, M. | Deposit date: | 2000-09-15 | Release date: | 2001-11-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of two forms of a 14-mer RNA/DNA chimer duplex with double UU bulges: a novel intramolecular U*(A x U) base triple. RNA, 7, 2001
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6CH2
| Crystal structure of the cytoplasmic domain of FlhA and FliT-FliD complex | Descriptor: | Flagellar biosynthesis protein FlhA, Flagellar hook-associated protein 2,Flagellar protein FliT, GLYCEROL | Authors: | Xing, Q, Shi, K, Kalodimos, C.G. | Deposit date: | 2018-02-21 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of chaperone-substrate complexes docked onto the export gate in a type III secretion system. Nat Commun, 9, 2018
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6DFY
| Remodeled crystal structure of DNA-bound DUX4-HD2 | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3'), DNA (5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*A)-3'), Double homeobox protein 4 | Authors: | Aihara, H, Shi, K. | Deposit date: | 2018-05-15 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.623 Å) | Cite: | Comment on structural basis of DUX4/IGH-driven transactivation. Leukemia, 32, 2018
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2IP2
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6O44
| Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Nattokinase, ... | Authors: | Tang, H, Shi, K, Aihara, H. | Deposit date: | 2019-02-28 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis. Biochem. Biophys. Res. Commun., 512, 2019
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6P7A
| CRYSTAL STRUCTURE OF THE FOWLPOX VIRUS HOLLIDAY JUNCTION RESOLVASE | Descriptor: | CADMIUM ION, Holliday junction resolvase | Authors: | Li, N, Shi, K, Banerjee, S, Rao, T, Aihara, H. | Deposit date: | 2019-06-05 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.081 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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