5YW4
| Structure-Guided Engineering of Reductase: Efficient Attenuating Substrate Inhibition in Asymmetric Catalysis | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Protein induced by osmotic stress | 著者 | Shang, Y.P, Chen, Q, Li, A.T, Yu, H.L, Xu, J.H. | 登録日 | 2017-11-28 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | 主引用文献 | Attenuated substrate inhibition of a haloketone reductase via structure-guided loop engineering. J.Biotechnol., 308, 2020
|
|
6C96
| Cryo-EM structure of mouse TPC1 channel in the apo state | 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, SODIUM ION, ... | 著者 | She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y. | 登録日 | 2018-01-25 | 公開日 | 2018-04-04 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel. Nature, 556, 2018
|
|
6BT5
| Human mGlu8 Receptor complexed with L-AP4 | 分子名称: | (2S)-2-amino-4-phosphonobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 8 | 著者 | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | 登録日 | 2017-12-05 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
|
|
6BSZ
| Human mGlu8 Receptor complexed with glutamate | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 8, ... | 著者 | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | 登録日 | 2017-12-04 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
|
|
7CE8
| Crystal structure of T2R-TTL-Compound11 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-06-22 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.725 Å) | 主引用文献 | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
|
|
6K9V
| Crystal structure of tubulin in complex with inhibitor D64 | 分子名称: | (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Yu, Y, Chen, Q. | 登録日 | 2019-06-18 | 公開日 | 2019-08-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.543 Å) | 主引用文献 | Structural insights into the design of indole derivatives as tubulin polymerization inhibitors. Febs Lett., 594, 2020
|
|
7CDA
| Crystal structure of T2R-TTL-PAC complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-06-19 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.659 Å) | 主引用文献 | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
|
|
7CEK
| Crystal structure of T2R-TTL-BML-284 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-06-23 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.696 Å) | 主引用文献 | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
|
|
7CE6
| Crystal structure of T2R-TTL-Compound9 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-06-22 | 公開日 | 2021-06-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.695 Å) | 主引用文献 | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
|
|
5XLZ
| |
5XLT
| The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin | 分子名称: | (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Yu, Y, Chen, Q. | 登録日 | 2017-05-11 | 公開日 | 2017-09-27 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.813 Å) | 主引用文献 | Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design Biochem. Biophys. Res. Commun., 493, 2017
|
|
5YQN
| Crystal structure of Sirt2 in complex with selective inhibitor L55 | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Wang, H, Yu, Y, Li, G, Chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
|
|
5YQO
| Crystal structure of Sirt2 in complex with selective inhibitor L5C | 分子名称: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | 著者 | Wang, H, Yu, Y, Li, G, Chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.483 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
|
|
5YQL
| Crystal structure of Sirt2 in complex with selective inhibitor A2I | 分子名称: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Wang, H, Yu, Y, Li, G, Chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
|
|
5YQM
| Crystal structure of Sirt2 in complex with selective inhibitor A29 | 分子名称: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Wang, H, Yu, Y, Li, G, chen, Q. | 登録日 | 2017-11-07 | 公開日 | 2018-10-17 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.735 Å) | 主引用文献 | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
|
|
5YZ3
| Crystal structure of T2R-TTL-28 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Yu, Y, Chen, Q. | 登録日 | 2017-12-12 | 公開日 | 2018-10-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | 主引用文献 | A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors. Cancer Res., 78, 2018
|
|
5YWL
| SsCR_L211H | 分子名称: | Protein induced by osmotic stress | 著者 | Shang, Y.P, Chen, Q, Li, A.T, Yu, H.L, Xu, J.H. | 登録日 | 2017-11-29 | 公開日 | 2019-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Attenuated substrate inhibition of a haloketone reductase via structure-guided loop engineering. J.Biotechnol., 308, 2020
|
|
7DRV
| Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | 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, Angiotensin-converting enzyme 2, ... | 著者 | Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H. | 登録日 | 2020-12-29 | 公開日 | 2021-08-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species. Cell, 184, 2021
|
|
7CLD
| Crystal structure of T2R-TTL-Cevipabulin complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, CALCIUM ION, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-07-20 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.611 Å) | 主引用文献 | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
|
|
7DP8
| Crystal structure of T2R-TTL-Cevipabulin-eribulin complex | 分子名称: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-12-18 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.446 Å) | 主引用文献 | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
|
|
6KYB
| Crystal structure of Atg18 from Saccharomyces cerevisiae | 分子名称: | Autophagy-related protein 18 | 著者 | Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S. | 登録日 | 2019-09-17 | 公開日 | 2020-09-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae. Cell.Mol.Life Sci., 78, 2021
|
|
6KYQ
| |
6KYR
| |
6MKO
| |
6MKK
| Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1 | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ... | 著者 | Georgiadis, M.M, He, H, Chen, Q. | 登録日 | 2018-09-25 | 公開日 | 2019-01-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.442 Å) | 主引用文献 | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1. J. Med. Chem., 62, 2019
|
|