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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
6U82
| |
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
|
|
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
|
|
6VK5
| Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, CHLORIDE ION, ... | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2020-01-18 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel. Biochemistry, 59, 2020
|
|
6VK7
| Crystal Structure of reduced Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase | Descriptor: | FE (III) ION, Methane monooxygenase, Methane monooxygenase component A alpha chain | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2020-01-18 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel. Biochemistry, 59, 2020
|
|
6VK8
| Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex with small organic carboxylate at active center | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2020-01-18 | Release date: | 2020-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel. Biochemistry, 59, 2020
|
|
6VK6
| Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2020-01-18 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel. Biochemistry, 59, 2020
|
|
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
|
|
5CQK
| Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3B, GLYCEROL, SODIUM ION, ... | Authors: | Shi, K, Kurahashi, K, Aihara, H. | Deposit date: | 2015-07-21 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain. J.Biol.Chem., 290, 2015
|
|
5CQH
| Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Shi, K, Kurahashi, K, Aihara, H. | Deposit date: | 2015-07-21 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain. J.Biol.Chem., 290, 2015
|
|
5CQI
| |
5CQD
| |
7JT4
| Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan | Descriptor: | Nucleosome-remodeling factor subunit BPTF | Authors: | Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2020-08-17 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor Org.Biomol.Chem., 17, 2019
|
|
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
|
|
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
|
|
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
|
|
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
|
|
5SXG
| Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | Descriptor: | 1,3-PROPANDIOL, DNA dC->dU-editing enzyme APOBEC-3B, IMIDAZOLE, ... | Authors: | Shi, K, Kurahashi, K, Aihara, H. | Deposit date: | 2016-08-09 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Conformational Switch Regulates the DNA Cytosine Deaminase Activity of Human APOBEC3B. Sci Rep, 7, 2017
|
|
5SXH
| Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | Descriptor: | 1,2-ETHANEDIOL, DNA dC->dU-editing enzyme APOBEC-3B, ZINC ION | Authors: | Shi, K, Kurahashi, K, Aihara, H. | Deposit date: | 2016-08-09 | Release date: | 2017-12-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Conformational Switch Regulates the DNA Cytosine Deaminase Activity of Human APOBEC3B. Sci Rep, 7, 2017
|
|
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
|
|