6B0Z
| IDH1 R132H mutant in complex with IDH305 | 分子名称: | (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | 著者 | Xie, X, Kulathila, R. | 登録日 | 2017-09-15 | 公開日 | 2017-11-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.334 Å) | 主引用文献 | Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor. ACS Med Chem Lett, 8, 2017
|
|
8EFB
| Oliceridine-bound mu-opioid receptor-Gi complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | 著者 | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | 登録日 | 2022-09-08 | 公開日 | 2022-11-09 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EFQ
| DAMGO-bound mu-opioid receptor-Gi complex | 分子名称: | DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | 登録日 | 2022-09-08 | 公開日 | 2022-11-09 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EF5
| Fentanyl-bound mu-opioid receptor-Gi complex | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | 登録日 | 2022-09-08 | 公開日 | 2022-11-09 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EFL
| SR17018-bound mu-opioid receptor-Gi complex | 分子名称: | 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | 登録日 | 2022-09-08 | 公開日 | 2022-11-09 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EF6
| Morphine-bound mu-opioid receptor-Gi complex | 分子名称: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | 登録日 | 2022-09-08 | 公開日 | 2022-11-09 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EFO
| PZM21-bound mu-opioid receptor-Gi complex | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | 登録日 | 2022-09-08 | 公開日 | 2022-11-09 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
3B6Z
| Lovastatin polyketide enoyl reductase (LovC) complexed with 2'-phosphoadenosyl isomer of crotonoyl-CoA | 分子名称: | Enoyl reductase, GLYCEROL, S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate | 著者 | Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C. | 登録日 | 2007-10-29 | 公開日 | 2008-09-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3B70
| Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (LovC) with bound NADP | 分子名称: | Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C. | 登録日 | 2007-10-29 | 公開日 | 2008-09-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6EG3
| Crystal structure of human BRM in complex with compound 15 | 分子名称: | 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid, ETHANOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2 | 著者 | Zhu, X, Kulathila, R, Hu, T, Xie, X. | 登録日 | 2018-08-17 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. J. Med. Chem., 61, 2018
|
|
6EG2
| Crystal structure of human BRM in complex with compound 16 | 分子名称: | ISOPROPYL ALCOHOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2, N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea | 著者 | Zhu, X, Kulathila, R, Hu, T, Xie, X. | 登録日 | 2018-08-17 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. J. Med. Chem., 61, 2018
|
|
7CFM
| Cryo-EM structure of the P395-bound GPBAR-Gs complex | 分子名称: | 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ... | 著者 | Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y. | 登録日 | 2020-06-27 | 公開日 | 2020-09-09 | 最終更新日 | 2020-12-02 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis of GPBAR activation and bile acid recognition. Nature, 587, 2020
|
|
7CFN
| Cryo-EM structure of the INT-777-bound GPBAR-Gs complex | 分子名称: | (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid, CHOLESTEROL, G-protein coupled bile acid receptor 1, ... | 著者 | Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y. | 登録日 | 2020-06-27 | 公開日 | 2020-09-09 | 最終更新日 | 2021-04-07 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis of GPBAR activation and bile acid recognition. Nature, 587, 2020
|
|
6XVD
| Crystal structure of complex of urokinase and a upain-1 variant(W3F) in pH7.4 condition | 分子名称: | Urokinase-type plasminogen activator, upain-1-W3F | 著者 | Xue, G.P, Xie, X, Zhou, Y, Yuan, C, Huang, M.D, Jiang, L.G. | 登録日 | 2020-01-21 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Insight to the residue in P2 position prevents the peptide inhibitor from being hydrolyzed by serine proteases. Biosci.Biotechnol.Biochem., 84, 2020
|
|
3LRA
| Structural Basis for Assembling a Human Tripartite Complex Dlg1-MPP7-Mals3 | 分子名称: | Disks large homolog 1, MAGUK p55 subfamily member 7, Protein lin-7 homolog C | 著者 | Yang, X, Xie, X, Shen, Y, Long, J. | 登録日 | 2010-02-10 | 公開日 | 2010-11-17 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural basis for tandem L27 domain-mediated polymerization Faseb J., 24, 2010
|
|
5EOA
| Crystal structure of OPTN E50K mutant and TBK1 complex | 分子名称: | Optineurin, Serine/threonine-protein kinase TBK1 | 著者 | Li, F, Xie, X, Liu, J, Pan, L. | 登録日 | 2015-11-10 | 公開日 | 2016-09-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins. Nat Commun, 7, 2016
|
|
2NS2
| Crystal Structure of Spindlin1 | 分子名称: | PHOSPHATE ION, Spindlin-1 | 著者 | Zhao, Q, Qin, L, Jiang, F, Wu, B, Yue, W, Xu, F, Rong, Z, Yuan, H, Xie, X, Gao, Y, Bai, C, Bartlam, M. | 登録日 | 2006-11-02 | 公開日 | 2006-11-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of human spindlin1. Tandem tudor-like domains for cell cycle regulation J.Biol.Chem., 282, 2007
|
|
3GQV
| Lovastatin polyketide enoyl reductase (LovC) mutant K54S with bound NADP | 分子名称: | Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Ames, B.D, Smith, P.T, Ma, S.M, Kaake, R, Wong, E.W, Wong, S.K, Xie, X, Li, J.W, Vederas, J.C, Tang, Y, Tsai, S.-C. | 登録日 | 2009-03-24 | 公開日 | 2009-04-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | biosynthesis of Lovastatin: Crystal structure and biochemical
studies of LOVC, A trans-acting polyketide enoyl reductase To be Published
|
|
3I60
| |
3I5Z
| |
6J36
| crystal structure of Mycoplasma hyopneumoniae Enolase | 分子名称: | Enolase, GLYCEROL, SULFATE ION | 著者 | Chen, R, Zhang, S, Gan, R, Xie, X, Feng, Z, Wang, W, Ran, T, Zhang, W, Xiang, Q, Shao, G. | 登録日 | 2019-01-04 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Featured Species-Specific Loops Are Found in the Crystal Structure ofMhpEno, a Cell Surface Adhesin FromMycoplasma hyopneumoniae. Front Cell Infect Microbiol, 9, 2019
|
|
4FV2
| Crystal Structure of the ERK2 complexed with EK5 | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, GLYCEROL, ... | 著者 | Kang, Y.N, Stuckey, J.A, Xie, X. | 登録日 | 2012-06-29 | 公開日 | 2012-08-29 | 最終更新日 | 2014-09-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of the ERK2 complexed with EK5 TO BE PUBLISHED
|
|
4FV5
| |
2M37
| Structure of lasso peptide astexin-1 | 分子名称: | ASTEXIN-1 | 著者 | Zimmermann, M, Hegemann, J.D, Xie, X, Marahiel, M.A. | 登録日 | 2013-01-14 | 公開日 | 2013-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | The astexin-1 lasso peptides: biosynthesis, stability, and structural studies. Chem.Biol., 20, 2013
|
|
4FV8
| Crystal Structure of the ERK2 complexed with E63 | 分子名称: | 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ... | 著者 | Kang, Y.N, Stuckey, J.A, Xie, X. | 登録日 | 2012-06-29 | 公開日 | 2012-08-29 | 最終更新日 | 2014-09-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of the ERK2 complexed with E63 TO BE PUBLISHED
|
|