7QHE
| Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | 分子名称: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | 登録日 | 2021-12-12 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
|
|
7QHD
| Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | 分子名称: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | 登録日 | 2021-12-12 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
|
|
6U7Q
| |
6U24
| NMR solution structure of triazole bridged SFTI-1 | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ILE-ALA-PHE-PRO-ASP | 著者 | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | 登録日 | 2019-08-19 | 公開日 | 2020-07-01 | 最終更新日 | 2020-07-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6U7U
| NMR solution structure of triazole bridged matriptase inhibitor | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ARG-ALA-PHE-PRO-ASP | 著者 | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2020-07-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6U7S
| |
6U7W
| NMR solution structure of a triazole bridged KLK7 inhibitor | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-LYS-ALA-LEU-PHE-SER-ASN-PRO-PRO-ILE-ALA-PHE-PRO-ASN | 著者 | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2020-07-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6U22
| Crystal structure of SFTI-triazole inhibitor in complex with beta-trypsin | 分子名称: | 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... | 著者 | White, A.M, King, G.J, Durek, T, Craik, D.J. | 登録日 | 2019-08-19 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
5V3S
| |
2YGS
| CARD DOMAIN FROM APAF-1 | 分子名称: | APOPTOTIC PROTEASE ACTIVATING FACTOR 1 | 著者 | Shi, Y. | 登録日 | 1999-05-08 | 公開日 | 2000-04-19 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural basis of procaspase-9 recruitment by the apoptotic protease-activating factor 1. Nature, 399, 1999
|
|
7CCD
| Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | 分子名称: | DNA (5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*AS*AP*CP*GP*TP*G)-3'), HNHc domain-containing protein | 著者 | Yu, H, Li, J, Liu, G, Zhao, G, Wang, Y, Hu, W, Deng, Z, Gan, J, Zhao, Y, He, X. | 登録日 | 2020-06-16 | 公開日 | 2020-07-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses. Nucleic Acids Res., 48, 2020
|
|
5TPA
| Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500) | 分子名称: | (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-10-20 | 公開日 | 2016-11-30 | 最終更新日 | 2017-02-01 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
|
|
5TP9
| Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178) | 分子名称: | 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-10-20 | 公開日 | 2016-11-30 | 最終更新日 | 2017-02-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
|
|
4MJ5
| Crystal Structure of HLA-A*1101 in complex with H1-22, an influenza A(H1N1) virus epitope | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ... | 著者 | Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F. | 登録日 | 2013-09-03 | 公開日 | 2014-10-08 | 最終更新日 | 2022-08-24 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions. J.Infect.Dis., 214, 2016
|
|
4MJ6
| Crystal Structure of HLA-A*1101 in complex with H7-22, an influenza A(H7N9) virus epitope | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ... | 著者 | Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F. | 登録日 | 2013-09-03 | 公開日 | 2014-10-08 | 最終更新日 | 2022-08-24 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions. J.Infect.Dis., 214, 2016
|
|
6U7X
| NMR solution structure of triazole bridged plasmin inhibitor | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP | 著者 | White, A.M, Harvey, P.J, Wang, C.K, Durek, T, Craik, D.J. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2020-07-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6U7R
| |
6J8F
| Crystal structure of SVBP-VASH1 with peptide mimic the C-terminal of alpha-tubulin | 分子名称: | 8-mer peptide, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | 著者 | Liao, S, Gao, J, Xu, C, Structural Genomics Consortium (SGC) | 登録日 | 2019-01-18 | 公開日 | 2019-06-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.283 Å) | 主引用文献 | Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis. Cell Res., 29, 2019
|
|
6J8N
| Crystal structure of SVBP-VASH1 complex, mutation C169A of VASH1 | 分子名称: | Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | 著者 | Liao, S, Gao, J, Xu, C, Structural Genomics Consortium (SGC) | 登録日 | 2019-01-20 | 公開日 | 2019-06-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis. Cell Res., 29, 2019
|
|
6J9H
| |
6J91
| Structure of a hypothetical protease | 分子名称: | Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | 著者 | Liao, S, Gao, J, Xu, C. | 登録日 | 2019-01-21 | 公開日 | 2019-06-19 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis. Cell Res., 29, 2019
|
|
6VBN
| Crystal Structure of hTDO2 bound to inhibitor GNE1 | 分子名称: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | 著者 | Harris, S.F, Oh, A. | 登録日 | 2019-12-19 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. Acs Med.Chem.Lett., 11, 2020
|
|
6WF2
| Crystal structure of mouse SCD1 with a diiron center | 分子名称: | Acyl-CoA desaturase 1, FE (III) ION, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | 著者 | Shen, J, Zhou, M. | 登録日 | 2020-04-03 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Structure and Mechanism of a Unique Diiron Center in Mammalian Stearoyl-CoA Desaturase. J.Mol.Biol., 432, 2020
|
|
6VY8
| |
6VXY
| Triazole bridged SFTI1 inhibitor in complex with beta-trypsin | 分子名称: | 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... | 著者 | White, A.M, King, G.J, Durek, T, Craik, D.J. | 登録日 | 2020-02-25 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.398 Å) | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 2020
|
|