7WLN
 
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | | 分子名称: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-01-13 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
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7VZQ
 | | The structure of GdmN V24Y/G157A/R158A/G188R mutant in complex with carbamoyl adenylate intermediate | | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, CHLORIDE ION, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-16 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7WMQ
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | | 分子名称: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-01-16 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
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7VZU
 | | The structure of GdmN Y82F mutant | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, GdmN, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-16 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7WNA
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-01-17 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
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7VYP
 | | The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, FE (III) ION, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-15 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7VZY
 | | The structure of GdmN complex with AMP and 20-O-methyl-19-chloroproansamitocin | | 分子名称: | (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7VYJ
 | | The structure of GdmN in complex with carbamoyl adenylate intermediate | | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-14 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7VYO
 | | The structure of GdmN | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-14 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7VZZ
 | | The structure of GdmN in complex with the natural tetrahedral intermediate, carbamoyl adenylate, and 20-O-methyl-19-chloroproansamitocin | | 分子名称: | (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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7XMN
 | | Structure of SARS-CoV-2 ORF8 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ... | | 著者 | Chen, X, Xu, W. | | 登録日 | 2022-04-26 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
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5WTD
 | | Structure of human serum transferrin bound ruthenium at N-lobe | | 分子名称: | FE (III) ION, MALONATE ION, RUTHENIUM ION, ... | | 著者 | Sun, H, Wang, M, Lai, T.P, Zhang, H, Hao, Q. | | 登録日 | 2016-12-11 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
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7WCT
 | | Crystal structure of FGFR4 kinase domain with 7v | | 分子名称: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | | 登録日 | 2021-12-20 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.106 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
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7WCW
 | | Crystal structure of FGFR4(V550L) kinase domain with 7v | | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | | 登録日 | 2021-12-20 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.317 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
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7WCX
 | | Crystal structure of FGFR4(V550M) kinase domain with 7v | | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | | 登録日 | 2021-12-20 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.175 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
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7W7P
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5X5P
 | | Human serum transferrin bound to ruthenium NTA | | 分子名称: | FE (III) ION, MALONATE ION, NITRILOTRIACETIC ACID, ... | | 著者 | Sun, H, Wang, M. | | 登録日 | 2017-02-17 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
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7WTK
 | | SARS-CoV-2 Omicron variant spike in complex with Fab XGv286 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv286, ... | | 著者 | Wang, X, Fu, W. | | 登録日 | 2022-02-04 | | 公開日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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7WTG
 | | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051 | | 分子名称: | Heavy chain of XGv051, Light chain of XGv051, Spike protein S1 | | 著者 | Wang, X, Fu, W. | | 登録日 | 2022-02-04 | | 公開日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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7WTH
 | | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264 | | 分子名称: | Heavy chain of XGv264, Light chain of XGv264, Spike protein S1 | | 著者 | Wang, X, Fu, W. | | 登録日 | 2022-02-04 | | 公開日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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7WTJ
 | | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286 | | 分子名称: | Heavy chain of XGv286, Light chain of XGv286, Spike protein S1 | | 著者 | Wang, X, Fu, W. | | 登録日 | 2022-02-04 | | 公開日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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7WTF
 | | SARS-CoV-2 Omicron variant spike in complex with Fab XGv051 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv051, ... | | 著者 | Wang, X, Fu, W. | | 登録日 | 2022-02-04 | | 公開日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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7WTI
 | | SARS-CoV-2 Omicron variant spike in complex with Fab XGv264 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ... | | 著者 | Wang, X, Fu, W. | | 登録日 | 2022-02-04 | | 公開日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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5XPD
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5YC6
 | | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | | 分子名称: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | | 著者 | Jiang, L.G, Zhang, X, Huang, M.D. | | 登録日 | 2017-09-06 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018
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