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4REF
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BU of 4ref by Molmil
Crystal Structure of TR3 LBD_L449W in complex with Molecule 2
分子名称: 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者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.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
8XMM
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BU of 8xmm by Molmil
Voltage-gated sodium channel Nav1.7 variant M9
分子名称: (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, ...
著者Yan, N, Li, Z, Wu, Q, Huang, G.
登録日2023-12-27
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XMN
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BU of 8xmn by Molmil
Voltage-gated sodium channel Nav1.7 variant M2
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, N, Li, Z, Wu, Q, Huang, G.
登録日2023-12-27
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XMO
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BU of 8xmo by Molmil
Voltage-gated sodium channel Nav1.7 variant M4
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, N, Li, Z, Wu, Q, Huang, G.
登録日2023-12-27
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
6ISQ
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BU of 6isq by Molmil
structure of Lipase mutant with oxided Cys-His-Asp catalytic triad
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ISOPROPYL ALCOHOL, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-11-18
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
6ISR
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BU of 6isr by Molmil
structure of lipase mutant with Cys-His-Asp catalytic triad
分子名称: DI(HYDROXYETHYL)ETHER, Lipase B, NICKEL (II) ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-11-18
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
6ISP
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BU of 6isp by Molmil
structure of Candida antarctica Lipase B mutant
分子名称: CALCIUM ION, Lipase B, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-11-18
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
7XVE
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BU of 7xve by Molmil
Human Nav1.7 mutant class-I
分子名称: (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, ...
著者Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
登録日2022-05-21
公開日2022-08-10
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献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
7XVF
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BU of 7xvf by Molmil
Nav1.7 mutant class2
分子名称: (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, ...
著者Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
登録日2022-05-22
公開日2022-08-10
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献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
8S9B
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BU of 8s9b by Molmil
Cryo-EM structure of Nav1.7 with LCM
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-03-27
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8S9C
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BU of 8s9c by Molmil
Cryo-EM structure of Nav1.7 with CBZ
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-03-27
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8BVL
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BU of 8bvl by Molmil
Crystal structure of the IBR-RING2 domain of HOIL-1
分子名称: RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION
著者Stieglitz, B, Koliopoulos, M.G, Rittinger, K.
登録日2022-12-04
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural basis for ubiquitylation by HOIL-1.
Front Mol Biosci, 9, 2022
8J4F
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BU of 8j4f by Molmil
Structure of human Nav1.7 in complex with Hardwickii acid
分子名称: (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, ...
著者Wu, Q.R, Yan, N.
登録日2023-04-19
公開日2023-06-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5B
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BU of 8i5b by Molmil
Structure of human Nav1.7 in complex with bupivacaine
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-24
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5X
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BU of 8i5x by Molmil
Structure of human Nav1.7 in complex with Vinpocetine
分子名称: (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, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-26
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5Y
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BU of 8i5y by Molmil
Structure of human Nav1.7 in complex with vixotrigine
分子名称: (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, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-26
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5G
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BU of 8i5g by Molmil
Structure of human Nav1.7 in complex with PF-05089771
分子名称: (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, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-25
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
5JLY
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BU of 5jly by Molmil
Structure of Peroxiredoxin-1 from Schistosoma japonicum
分子名称: Thioredoxin peroxidase-1
著者Wu, Q, Huang, F, Zeng, D, Liu, X, Zhao, J, Wang, H, Peng, Y, Li, P, Li, Y.
登録日2016-04-27
公開日2017-05-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.051 Å)
主引用文献Crystal structure of Peroxiredoxin-1 from Schistosoma japonicum
To Be Published
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
分子名称: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Joseph, S, Rodenberger, A.
登録日2020-05-04
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
7MK2
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BU of 7mk2 by Molmil
CryoEM Structure of NPR1
分子名称: Regulatory protein NPR1, ZINC ION
著者Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P.
登録日2021-04-21
公開日2022-03-16
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
7OPW
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BU of 7opw by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-01
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQG
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BU of 7oqg by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), BETA-MERCAPTOETHANOL, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQJ
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BU of 7oqj by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ162
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQS
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BU of 7oqs by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177
分子名称: 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), ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQU
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BU of 7oqu by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180
分子名称: (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), ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published

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