4TY8
 
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | 6-methyl-2H-chromen-2-one, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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1HKA
 | | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE | | Descriptor: | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE | | Authors: | Xiao, B, Shi, G, Chen, X, Yan, H, Ji, X. | | Deposit date: | 1998-09-29 | | Release date: | 1999-06-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, a potential target for the development of novel antimicrobial agents.
Structure Fold.Des., 7, 1999
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4GHQ
 | | Crystal structure of EV71 3C proteinase | | Descriptor: | 3C proteinase | | Authors: | Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T. | | Deposit date: | 2012-08-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
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4WOQ
 | | Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric | | Descriptor: | 2-KETOBUTYRIC ACID, N-acetylneuraminate lyase | | Authors: | Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2014-10-16 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric
to be published
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4WOZ
 | | Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine | | Descriptor: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, N-acetylneuraminate lyase | | Authors: | Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2014-10-17 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine
to be published
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1WWN
 | | NMR Solution Structure of BmK-betaIT, an Excitatory Scorpion Toxin from Buthus martensi Karsch | | Descriptor: | Excitatory insect selective toxin 1 | | Authors: | Wu, H, Tong, X, Chen, X, Zhang, Q, Zheng, X, Zhang, N, Wu, G. | | Deposit date: | 2005-01-10 | | Release date: | 2006-01-17 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of BmK-betaIT, an excitatory scorpion beta-toxin without a 'hot spot' at the relevant position
Biochem.Biophys.Res.Commun., 349, 2006
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4AY9
 | | Structure of follicle-stimulating hormone in complex with the entire ectodomain of its receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLLICLE-STIMULATING HORMONE RECEPTOR, FOLLITROPIN SUBUNIT BETA, ... | | Authors: | Jiang, X, Liu, H, Chen, X, He, X. | | Deposit date: | 2012-06-19 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Follicle-Stimulating Hormone in Complex with the Entire Ectodomain of its Receptor.
Proc.Natl.Acad.Sci.USA, 109, 2012
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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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6IHI
 | | Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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6IHH
 | | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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1WT8
 | | Solution Structure of BmP08 from the Venom of Scorpion Buthus martensii Karsch, 20 structures | | Descriptor: | Neurotoxin BmK X | | Authors: | Wu, H, Chen, X, Tong, X, Li, Y, Zhang, N, Wu, G. | | Deposit date: | 2004-11-17 | | Release date: | 2005-04-19 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of BmP08, a novel short-chain scorpion toxin from Buthus martensi Karsch.
Biochem.Biophys.Res.Commun., 330, 2005
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1YVL
 | | Structure of Unphosphorylated STAT1 | | Descriptor: | 5-residue peptide, GOLD ION, Signal transducer and activator of transcription 1-alpha/beta | | Authors: | Mao, X, Ren, Z, Parker, G.N, Sondermann, H, Pastorello, M.A, Wang, W, McMurray, J.S, Demeler, B, Darnell Jr, J.E, Chen, X. | | Deposit date: | 2005-02-16 | | Release date: | 2005-03-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural bases of unphosphorylated STAT1 association and receptor binding.
Mol.Cell, 17, 2005
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4GHT
 | | Crystal structure of EV71 3C proteinase in complex with AG7088 | | Descriptor: | 3C proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T. | | Deposit date: | 2012-08-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
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1FIO
 | | CRYSTAL STRUCTURE OF YEAST T-SNARE PROTEIN SSO1 | | Descriptor: | SSO1 PROTEIN, ZINC ION | | Authors: | Munson, M, Chen, X, Cocina, A.E, Schultz, S.M, Hughson, F.M. | | Deposit date: | 2000-08-04 | | Release date: | 2000-10-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interactions within the yeast t-SNARE Sso1p that control SNARE complex assembly.
Nat.Struct.Biol., 7, 2000
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1GH2
 | | Crystal structure of the catalytic domain of a new human thioredoxin-like protein | | Descriptor: | THIOREDOXIN-LIKE PROTEIN | | Authors: | Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z. | | Deposit date: | 2000-11-01 | | Release date: | 2001-05-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of the catalytic domain of a human thioredoxin-like protein.
Eur.J.Biochem., 269, 2002
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4RZM
 | | Crystal structure of the Lsd19-lasalocid A complex | | Descriptor: | CHLORIDE ION, Epoxide hydrolase LasB, FORMIC ACID, ... | | Authors: | Mathews, I.I, Hotta, K, Chen, X, Kim, C.-Y. | | Deposit date: | 2014-12-22 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Epoxide hydrolase-lasalocid a structure provides mechanistic insight into polyether natural product biosynthesis.
J.Am.Chem.Soc., 137, 2015
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358D
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2E0H
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7QZQ
 | | Crystal structure of the kelch domain of human KBTBD12 | | Descriptor: | 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION | | Authors: | Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N. | | Deposit date: | 2022-01-31 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of the kelch domain of human KBTBD12
To Be Published
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1BF5
 | | TYROSINE PHOSPHORYLATED STAT-1/DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*G P*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*CP*T P*G)-3'), SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION 1-ALPHA/BETA | | Authors: | Kuriyan, J, Zhao, Y, Chen, X, Vinkemeier, U, Jeruzalmi, D, Darnell Jr, J.E. | | Deposit date: | 1998-05-27 | | Release date: | 1998-08-12 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a tyrosine phosphorylated STAT-1 dimer bound to DNA.
Cell(Cambridge,Mass.), 93, 1998
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