4REF
| Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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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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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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6ISQ
| structure of Lipase mutant with oxided Cys-His-Asp catalytic triad | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ISOPROPYL ALCOHOL, ... | 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 (1.86 Å) | Cite: | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution. Nat Commun, 10, 2019
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6ISR
| structure of lipase mutant with Cys-His-Asp catalytic triad | Descriptor: | DI(HYDROXYETHYL)ETHER, Lipase B, NICKEL (II) ION, ... | 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 (2.6 Å) | Cite: | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution. Nat Commun, 10, 2019
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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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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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8BVL
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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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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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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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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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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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6WU8
| Structure of human SHP2 in complex with inhibitor IACS-13909 | Descriptor: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Joseph, S, Rodenberger, A. | Deposit date: | 2020-05-04 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib. Cancer Res., 80, 2020
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7MK2
| CryoEM Structure of NPR1 | Descriptor: | Regulatory protein NPR1, ZINC ION | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P. | Deposit date: | 2021-04-21 | Release date: | 2022-03-16 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of NPR1 in activating plant immunity. Nature, 605, 2022
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7OPW
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7OQG
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7OQJ
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7OQS
| Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177 | Descriptor: | 14-3-3 protein sigma, 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide, Amot-p130 phosphopeptide (pS175), ... | Authors: | Centorrino, F, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7OQU
| Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180 | Descriptor: | (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide, 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), ... | Authors: | Centorrino, F, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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