8J5W
| The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.28041458 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
|
|
8J61
| The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.05065274 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
|
|
8J63
| The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.0005 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
|
|
6K4V
| |
6K4W
| smart chimeric peptide SCP-A6 | 分子名称: | SCP-A6 | 著者 | Wang, J.H, Liu, X.H. | 登録日 | 2019-05-27 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli. Commun Biol, 3, 2020
|
|
7SYY
| |
7SYZ
| |
7UAP
| |
7UAR
| |
7UAQ
| Structure of the SARS-CoV-2 NTD in complex with C1520, local refinement | 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, C1520 Fab Heavy Chain, ... | 著者 | Barnes, C.O. | 登録日 | 2022-03-13 | 公開日 | 2022-04-27 | 最終更新日 | 2022-06-22 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Analysis of memory B cells identifies conserved neutralizing epitopes on the N-terminal domain of variant SARS-Cov-2 spike proteins. Immunity, 55, 2022
|
|
5O66
| Asymmetric AcrABZ-TolC | 分子名称: | Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrA, Multidrug efflux pump subunit AcrB, ... | 著者 | Du, D, Luisi, B.F. | 登録日 | 2017-06-05 | 公開日 | 2017-06-14 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (5.9 Å) | 主引用文献 | An allosteric transport mechanism for the AcrAB-TolC multidrug efflux pump. Elife, 6, 2017
|
|
5NC5
| |
8TVI
| |
8TVB
| |
6IWI
| Crystal structure of PDE5A in complex with a novel inhibitor | 分子名称: | MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ... | 著者 | Zhang, X.L, Xu, Y.C. | 登録日 | 2018-12-05 | 公開日 | 2019-12-11 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.155 Å) | 主引用文献 | Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension. J.Med.Chem., 62, 2019
|
|
7XAF
| The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | 分子名称: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2022-03-17 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.001182 Å) | 主引用文献 | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance. J.Med.Chem., 65, 2022
|
|
8HOK
| crystal structure of UGT71AP2 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, UGT71AP2 | 著者 | Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M. | 登録日 | 2022-12-10 | 公開日 | 2023-12-13 | 最終更新日 | 2024-09-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'- O -glycosyltransferase from Scutellaria baicalensis . Acta Pharm Sin B, 14, 2024
|
|
8HOJ
| Crystal structure of UGT71AP2 in complex with UDP | 分子名称: | UGT71AP2, URIDINE-5'-DIPHOSPHATE | 著者 | Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M. | 登録日 | 2022-12-10 | 公開日 | 2023-12-13 | 最終更新日 | 2024-09-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'- O -glycosyltransferase from Scutellaria baicalensis . Acta Pharm Sin B, 14, 2024
|
|
7CUT
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK | 分子名称: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | 登録日 | 2020-08-24 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro . Signal Transduct Target Ther, 6, 2021
|
|
7CUU
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132 | 分子名称: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | 登録日 | 2020-08-24 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro . Signal Transduct Target Ther, 6, 2021
|
|
8HK7
| Structure of PKD2-F604P (Polycystin-2, TRPP2) with ML-SA1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, CALCIUM ION, ... | 著者 | Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y. | 登録日 | 2022-11-25 | 公開日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7JGJ
| |
7KDE
| |
8GYX
| Cryo-EM structure of human CEPT1 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Choline/ethanolaminephosphotransferase 1, MAGNESIUM ION | 著者 | Qian, H.W, Wang, Z.H. | 登録日 | 2022-09-24 | 公開日 | 2023-03-22 | 最終更新日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structural basis for catalysis of human choline/ethanolamine phosphotransferase 1. Nat Commun, 14, 2023
|
|
8GYW
| |