5WDY
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8EF5
| Fentanyl-bound mu-opioid receptor-Gi complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EFB
| Oliceridine-bound mu-opioid receptor-Gi complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EF6
| Morphine-bound mu-opioid receptor-Gi complex | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EFQ
| DAMGO-bound mu-opioid receptor-Gi complex | Descriptor: | DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EFO
| PZM21-bound mu-opioid receptor-Gi complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EFL
| SR17018-bound mu-opioid receptor-Gi complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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3B6Z
| Lovastatin polyketide enoyl reductase (LovC) complexed with 2'-phosphoadenosyl isomer of crotonoyl-CoA | Descriptor: | 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 | Authors: | Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C. | Deposit date: | 2007-10-29 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
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2NS2
| Crystal Structure of Spindlin1 | Descriptor: | PHOSPHATE ION, Spindlin-1 | Authors: | Zhao, Q, Qin, L, Jiang, F, Wu, B, Yue, W, Xu, F, Rong, Z, Yuan, H, Xie, X, Gao, Y, Bai, C, Bartlam, M. | Deposit date: | 2006-11-02 | Release date: | 2006-11-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of human spindlin1. Tandem tudor-like domains for cell cycle regulation J.Biol.Chem., 282, 2007
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3B70
| Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (LovC) with bound NADP | Descriptor: | Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C. | Deposit date: | 2007-10-29 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
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3GQV
| Lovastatin polyketide enoyl reductase (LovC) mutant K54S with bound NADP | Descriptor: | Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | 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. | Deposit date: | 2009-03-24 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | biosynthesis of Lovastatin: Crystal structure and biochemical
studies of LOVC, A trans-acting polyketide enoyl reductase To be Published
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4FV2
| Crystal Structure of the ERK2 complexed with EK5 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, GLYCEROL, ... | Authors: | Kang, Y.N, Stuckey, J.A, Xie, X. | Deposit date: | 2012-06-29 | Release date: | 2012-08-29 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the ERK2 complexed with EK5 TO BE PUBLISHED
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4FV5
| Crystal Structure of the ERK2 complexed with EK9 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... | Authors: | Kang, Y.N, Stuckey, J.A, Xie, X. | Deposit date: | 2012-06-29 | Release date: | 2012-08-29 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the ERK2 complexed with EK9 TO BE PUBLISHED
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4FV8
| Crystal Structure of the ERK2 complexed with E63 | Descriptor: | 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, ... | Authors: | Kang, Y.N, Stuckey, J.A, Xie, X. | Deposit date: | 2012-06-29 | Release date: | 2012-08-29 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the ERK2 complexed with E63 TO BE PUBLISHED
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4FV0
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3LRA
| Structural Basis for Assembling a Human Tripartite Complex Dlg1-MPP7-Mals3 | Descriptor: | Disks large homolog 1, MAGUK p55 subfamily member 7, Protein lin-7 homolog C | Authors: | Yang, X, Xie, X, Shen, Y, Long, J. | Deposit date: | 2010-02-10 | Release date: | 2010-11-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for tandem L27 domain-mediated polymerization Faseb J., 24, 2010
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6XVD
| Crystal structure of complex of urokinase and a upain-1 variant(W3F) in pH7.4 condition | Descriptor: | Urokinase-type plasminogen activator, upain-1-W3F | Authors: | Xue, G.P, Xie, X, Zhou, Y, Yuan, C, Huang, M.D, Jiang, L.G. | Deposit date: | 2020-01-21 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insight to the residue in P2 position prevents the peptide inhibitor from being hydrolyzed by serine proteases. Biosci.Biotechnol.Biochem., 84, 2020
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5TPY
| Crystal structure of an exonuclease resistant RNA from Zika virus | Descriptor: | HEXANE-1,6-DIOL, MAGNESIUM ION, RNA (71-MER) | Authors: | Akiyama, B.M, Laurence, H.M, Massey, A.R, Costantino, D.A, Xie, X, Yang, Y, Shi, P.-Y, Nix, J.C, Beckham, J.D, Kieft, J.S. | Deposit date: | 2016-10-21 | Release date: | 2016-12-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Zika virus produces noncoding RNAs using a multi-pseudoknot structure that confounds a cellular exonuclease. Science, 354, 2016
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6EG3
| Crystal structure of human BRM in complex with compound 15 | Descriptor: | 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 | Authors: | Zhu, X, Kulathila, R, Hu, T, Xie, X. | Deposit date: | 2018-08-17 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | 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
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6EG2
| Crystal structure of human BRM in complex with compound 16 | Descriptor: | 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 | Authors: | Zhu, X, Kulathila, R, Hu, T, Xie, X. | Deposit date: | 2018-08-17 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | 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
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3I60
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3I5Z
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2M37
| Structure of lasso peptide astexin-1 | Descriptor: | ASTEXIN-1 | Authors: | Zimmermann, M, Hegemann, J.D, Xie, X, Marahiel, M.A. | Deposit date: | 2013-01-14 | Release date: | 2013-05-01 | Method: | SOLUTION NMR | Cite: | The astexin-1 lasso peptides: biosynthesis, stability, and structural studies. Chem.Biol., 20, 2013
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2MLJ
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2MFV
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