8WY7
 
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | | 分子名称: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8WY3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21 | | 分子名称: | Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8WYG
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | | 分子名称: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8WXY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | | 分子名称: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8UAO
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5ZLA
 | | Crystal structure of mutant C387A of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III | | 分子名称: | (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol, DFA-IIIase C387A mutant | | 著者 | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | 登録日 | 2018-03-27 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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5ZL5
 | | Crystal structure of DFA-IIIase mutant C387A from Arthrobacter chlorophenolicus A6 | | 分子名称: | DFA-IIIase C387A mutant, GLYCEROL | | 著者 | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | 登録日 | 2018-03-26 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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5ZKS
 | | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 | | 分子名称: | DFA-IIIase | | 著者 | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | 登録日 | 2018-03-26 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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5ZKU
 | | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III | | 分子名称: | (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol, DFA-IIIase | | 著者 | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | 登録日 | 2018-03-26 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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8UB3
 | | DpHF7 filament | | 分子名称: | DpHF7 filament | | 著者 | Lynch, E.M, Farrell, D, Shen, H, Kollman, J.M, DiMaio, F, Baker, D. | | 登録日 | 2023-09-22 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 19, 2024
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8UBG
 | | DpHF19 filament | | 分子名称: | DpHF19,Green fluorescent protein (Fragment) | | 著者 | Lynch, E.M, Shen, H, Kollman, J.M, Baker, D. | | 登録日 | 2023-09-22 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 19, 2024
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5ZKW
 | | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with GF2 | | 分子名称: | DFA-IIIase, alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose | | 著者 | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | 登録日 | 2018-03-26 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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5ZKY
 | | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 without its lid | | 分子名称: | DFA-IIIase | | 著者 | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | 登録日 | 2018-03-26 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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5ZL4
 | | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 wihout its lid in complex with GF2 | | 分子名称: | DFA-IIIase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | 著者 | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | 登録日 | 2018-03-26 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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7W9M
 | | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (S6IV pi helix conformer) | | 分子名称: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7W9P
 | | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV pi helix conformer) | | 分子名称: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | 著者 | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-25 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7W9L
 | | Cryo-EM structure of human Nav1.7(E406K)-beta1-beta2 complex | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | 著者 | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | 登録日 | 2021-12-10 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7W9K
 | | Cryo-EM structure of human Nav1.7-beta1-beta2 complex at 2.2 angstrom resolution | | 分子名称: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | 著者 | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | 登録日 | 2021-12-09 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7UD4
 | | Cryo-EM structure of AAV-PHP.eB | | 分子名称: | Capsid protein VP1 | | 著者 | Jang, S, Shen, H.K, Ding, X, Miles, T.F, Gradinaru, V. | | 登録日 | 2022-03-18 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (2.24 Å) | | 主引用文献 | Structural basis of receptor usage by the engineered capsid AAV-PHP.eB.
Mol Ther Methods Clin Dev, 26, 2022
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7WJU
 | | Cryo-EM structure of the AsCas12f1-sgRNAv1-dsDNA ternary complex | | 分子名称: | Non-target strand, OrfB_Zn_ribbon domain-containing protein, Target strand, ... | | 著者 | Wu, Z, Liu, D, Shen, H, Ji, Q. | | 登録日 | 2022-01-07 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (2.69 Å) | | 主引用文献 | Structure-directed functional evolution of the miniature CRISPR-AsCas12f1 system
To Be Published
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7XIJ
 | | Crystal structure of CBP bromodomain liganded with Y08175 | | 分子名称: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | 登録日 | 2022-04-13 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Crystal structure of CBP bromodomain liganded with Y08175
To Be Published
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7XNE
 | | Crystal structure of CBP bromodomain liganded with Y08284 | | 分子名称: | CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide | | 著者 | Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y. | | 登録日 | 2022-04-28 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
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7EVJ
 | | Crystal structure of CBP bromodomain liganded with 9c | | 分子名称: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | | 著者 | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | 登録日 | 2021-05-21 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
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