6J1T
| Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue | Descriptor: | (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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6J1P
| Crystal structure of Candida Antarctica Lipase B mutant - SR | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.759 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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6J1R
| Crystal structure of Candida Antarctica Lipase B mutant - RR | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lipase B, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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8XMN
| Voltage-gated sodium channel Nav1.7 variant M2 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | Deposit date: | 2023-12-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Dissection of the structure-function relationship of Na v channels. Proc.Natl.Acad.Sci.USA, 121, 2024
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8XMO
| Voltage-gated sodium channel Nav1.7 variant M4 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | Deposit date: | 2023-12-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Dissection of the structure-function relationship of Na v channels. Proc.Natl.Acad.Sci.USA, 121, 2024
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8XMM
| Voltage-gated sodium channel Nav1.7 variant M9 | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | Deposit date: | 2023-12-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Dissection of the structure-function relationship of Na v channels. Proc.Natl.Acad.Sci.USA, 121, 2024
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6ISP
| structure of Candida antarctica Lipase B mutant | Descriptor: | CALCIUM ION, Lipase B, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-11-18 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution. Nat Commun, 10, 2019
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7XVE
| Human Nav1.7 mutant class-I | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N. | Deposit date: | 2022-05-21 | Release date: | 2022-08-10 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XVF
| Nav1.7 mutant class2 | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N. | Deposit date: | 2022-05-22 | Release date: | 2022-08-10 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7. Proc.Natl.Acad.Sci.USA, 119, 2022
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8BVL
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8S9B
| Cryo-EM structure of Nav1.7 with LCM | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2023-03-27 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8S9C
| Cryo-EM structure of Nav1.7 with CBZ | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2023-03-27 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8I5X
| Structure of human Nav1.7 in complex with Vinpocetine | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-01-26 | Release date: | 2023-06-14 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8I5B
| Structure of human Nav1.7 in complex with bupivacaine | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-01-24 | Release date: | 2023-06-14 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8I5Y
| Structure of human Nav1.7 in complex with vixotrigine | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-01-26 | Release date: | 2023-06-14 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8I5G
| Structure of human Nav1.7 in complex with PF-05089771 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-01-25 | Release date: | 2023-06-14 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8J4F
| Structure of human Nav1.7 in complex with Hardwickii acid | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-04-19 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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5JLY
| Structure of Peroxiredoxin-1 from Schistosoma japonicum | Descriptor: | Thioredoxin peroxidase-1 | Authors: | Wu, Q, Huang, F, Zeng, D, Liu, X, Zhao, J, Wang, H, Peng, Y, Li, P, Li, Y. | Deposit date: | 2016-04-27 | Release date: | 2017-05-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.051 Å) | Cite: | Crystal structure of Peroxiredoxin-1 from Schistosoma japonicum To Be Published
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4XT9
| RORgamma (263-509) complexed with GSK2435341A and SRC2 | Descriptor: | LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ... | Authors: | Wang, Y, Ma, Y. | Deposit date: | 2015-01-23 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists Bioorg.Med.Chem., 23, 2015
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7YP1
| Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement) | Descriptor: | 10E4 heavy chain, 10E4 light chain, EBV gH, ... | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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7YP2
| Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement) | Descriptor: | 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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7YOY
| Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement) | Descriptor: | 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ... | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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5DH3
| Crystal structure of MST2 in complex with XMU-MP-1 | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ... | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2015-08-29 | Release date: | 2016-08-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.468 Å) | Cite: | Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration Sci Transl Med, 8, 2016
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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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