7MLS
 
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) | | 分子名称: | 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... | | 著者 | Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-04-28 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
|
|
7MLQ
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26) | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | | 著者 | Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-04-28 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
|
|
1CKK
 | | CALMODULIN/RAT CA2+/CALMODULIN DEPENDENT PROTEIN KINASE FRAGMENT | | 分子名称: | CALCIUM ION, Calcium/calmodulin-dependent protein kinase kinase 1, Calmodulin-1 | | 著者 | Osawa, M, Tokumitsu, H, Swindells, M.B, Kurihara, H, Orita, M, Shibanuma, T, Furuya, T, Ikura, M. | | 登録日 | 1998-11-20 | | 公開日 | 1999-09-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A novel target recognition revealed by calmodulin in complex with Ca2+-calmodulin-dependent kinase kinase.
Nat.Struct.Biol., 6, 1999
|
|
7K33
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site | | 分子名称: | DNA (27-MER), Endonuclease Q, MAGNESIUM ION, ... | | 著者 | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | 登録日 | 2020-09-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7K32
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site | | 分子名称: | DNA (27-MER), Endonuclease Q, MAGNESIUM ION, ... | | 著者 | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | 登録日 | 2020-09-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
5SXG
 | | Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | | 分子名称: | 1,3-PROPANDIOL, DNA dC->dU-editing enzyme APOBEC-3B, IMIDAZOLE, ... | | 著者 | Shi, K, Kurahashi, K, Aihara, H. | | 登録日 | 2016-08-09 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Conformational Switch Regulates the DNA Cytosine Deaminase Activity of Human APOBEC3B.
Sci Rep, 7, 2017
|
|
1GCZ
 | |
6BBO
 | | Crystal structure of human APOBEC3H/RNA complex | | 分子名称: | APOBEC3H, GLYCEROL, MCherry fluorescent protein, ... | | 著者 | Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H. | | 登録日 | 2017-10-19 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.428 Å) | | 主引用文献 | The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism.
Mol. Cell, 69, 2018
|
|
3WHJ
 | | Crystal structure of Nas2 N-terminal domain | | 分子名称: | CADMIUM ION, Probable 26S proteasome regulatory subunit p27, SULFATE ION | | 著者 | Satoh, T, Saeki, Y, Hiromoto, T, Wang, Y.-H, Uekusa, Y, Yagi, H, Yoshihara, H, Yagi-Utsumi, M, Mizushima, T, Tanaka, K, Kato, K. | | 登録日 | 2013-08-26 | | 公開日 | 2014-03-26 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural basis for proteasome formation controlled by an assembly chaperone nas2.
Structure, 22, 2014
|
|
6VW1
 | | Structure of SARS-CoV-2 chimeric receptor-binding domain complexed with its receptor human ACE2 | | 分子名称: | 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, ... | | 著者 | Shang, J, Ye, G, Shi, K, Wan, Y.S, Aihara, H, Li, F. | | 登録日 | 2020-02-18 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structural basis of receptor recognition by SARS-CoV-2.
Nature, 581, 2020
|
|
3WHL
 | | Crystal structure of Nas2 N-terminal domain complexed with PAN-Rpt5C chimera | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Probable 26S proteasome regulatory subunit p27, Proteasome-activating nucleotidase, ... | | 著者 | Satoh, T, Saeki, Y, Hiromoto, T, Wang, Y.-H, Uekusa, Y, Yagi, H, Yoshihara, H, Yagi-Utsumi, M, Mizushima, T, Tanaka, K, Kato, K. | | 登録日 | 2013-08-26 | | 公開日 | 2014-03-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Structural basis for proteasome formation controlled by an assembly chaperone nas2.
Structure, 22, 2014
|
|
7TGR
 | | Structure of SARS-CoV-2 main protease in complex with GC376 | | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 1,2-ETHANEDIOL, ... | | 著者 | Esler, M.A, Shi, K, Aihara, H, Harris, R.S. | | 登録日 | 2022-01-09 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Gain-of-Signal Assays for Probing Inhibition of SARS-CoV-2 M pro /3CL pro in Living Cells.
Mbio, 13, 2022
|
|
5SXH
 | | Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | | 分子名称: | 1,2-ETHANEDIOL, DNA dC->dU-editing enzyme APOBEC-3B, ZINC ION | | 著者 | Shi, K, Kurahashi, K, Aihara, H. | | 登録日 | 2016-08-09 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Conformational Switch Regulates the DNA Cytosine Deaminase Activity of Human APOBEC3B.
Sci Rep, 7, 2017
|
|
4YJ0
 | | Crystal structure of the DM domain of human DMRT1 bound to 25mer target DNA | | 分子名称: | DNA (25-MER), Doublesex- and mab-3-related transcription factor 1, ZINC ION | | 著者 | Murphy, M.W, Lee, J.K, Rojo, S, Gearhart, M.D, Kurahashi, K, Banerjee, S, Loeuille, G, Bashamboo, A, McElreavey, K, Zarkower, D, Aihara, H, Bardwell, V.J. | | 登録日 | 2015-03-02 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3.814 Å) | | 主引用文献 | An ancient protein-DNA interaction underlying metazoan sex determination.
Nat.Struct.Mol.Biol., 22, 2015
|
|
3WHK
 | | Crystal structure of PAN-Rpt5C chimera | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Proteasome-activating nucleotidase, 26S protease regulatory subunit 6A | | 著者 | Satoh, T, Saeki, Y, Hiromoto, T, Wang, Y.-H, Uekusa, Y, Yagi, H, Yoshihara, H, Yagi-Utsumi, M, Mizushima, T, Tanaka, K, Kato, K. | | 登録日 | 2013-08-26 | | 公開日 | 2014-03-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for proteasome formation controlled by an assembly chaperone nas2.
Structure, 22, 2014
|
|
5B3I
 | | Homo-dimeric structure of cytochrome c' from Thermophilic Hydrogenophilus thermoluteolus | | 分子名称: | Cytochrome c prime, HEME C | | 著者 | Fujii, S, Oki, H, Kawahara, K, Yamane, D, Yamanaka, M, Maruno, T, Kobayashi, Y, Masanari, M, Wakai, S, Nishihara, H, Ohkubo, T, Sambongi, Y. | | 登録日 | 2016-02-29 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural and functional insights into thermally stable cytochrome c' from a thermophile
Protein Sci., 26, 2017
|
|
5TD5
 | | Crystal Structure of Human APOBEC3B variant complexed with ssDNA | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(P*TP*TP*CP*AP*T)-3'), ... | | 著者 | Shi, K, Banerjee, S, Kurahashi, K, Aihara, H. | | 登録日 | 2016-09-16 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.718 Å) | | 主引用文献 | Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
|
|
7UFL
 | | Crystal structure of chimeric omicron RBD (strain BA.2) complexed with chimeric mouse ACE2 | | 分子名称: | 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, ... | | 著者 | Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F. | | 登録日 | 2022-03-22 | | 公開日 | 2022-10-19 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7M8R
 | | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans | | 分子名称: | 1,1,1-tris(fluoranyl)propan-2-one, 1,2-ETHANEDIOL, BENZOIC ACID, ... | | 著者 | Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D. | | 登録日 | 2021-03-30 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
|
|
5Y34
 | | Membrane-bound respiratory [NiFe]-hydrogenase from Hydrogenovibrio marinus in a ferricyanide-oxidized condition | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | | 著者 | Shomura, Y, Yoon, K.S, Nishihara, H, Higuchi, Y. | | 登録日 | 2017-07-27 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
Nature, 479, 2011
|
|
6BUQ
 | |
6BUN
 | |
6NFM
 | |
6BUP
 | | Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with cyanuric acid | | 分子名称: | 1,3,5-triazine-2,4,6-triol, 1,3-PROPANDIOL, CALCIUM ION, ... | | 著者 | Shi, K, Aihara, H. | | 登録日 | 2017-12-11 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
|
|
6NFK
 | | Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B with loop 7 from APOBEC3G bound to iodide | | 分子名称: | 1,2-ETHANEDIOL, DNA dC->dU-editing enzyme APOBEC-3B, IODIDE ION | | 著者 | Shi, K, Orellana, K, Aihara, H. | | 登録日 | 2018-12-20 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Active site plasticity and possible modes of chemical inhibition of the human DNA deaminase APOBEC3B
Faseb Bioadv, 2, 2020
|
|
