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5X5C
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BU of 5x5c by Molmil
Prefusion structure of MERS-CoV spike glycoprotein, conformation 1
分子名称: S protein
著者Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F.
登録日2017-02-15
公開日2017-05-03
最終更新日2017-05-24
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
5XI3
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BU of 5xi3 by Molmil
BRD4 bound with compound Bdi3
分子名称: (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D, Li, Y.
登録日2017-04-25
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.674 Å)
主引用文献BRD4 bound with compound Bdi3
To Be Published
5X5F
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BU of 5x5f by Molmil
Prefusion structure of MERS-CoV spike glycoprotein, conformation 2
分子名称: S protein
著者Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F.
登録日2017-02-15
公開日2017-05-03
最終更新日2017-05-24
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
5XI2
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BU of 5xi2 by Molmil
BRD4 bound with compound Bdi2
分子名称: (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D, Li, Y.
登録日2017-04-25
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献BRD4 bound with compound Bdi2
To Be Published
7DNO
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BU of 7dno by Molmil
Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique
分子名称: CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5
著者Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T.
登録日2020-12-10
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
5YOV
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BU of 5yov by Molmil
Crystal structure of BRD4-BD1 bound with hjp126
分子名称: (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4
著者Xiong, B, Hu, J, Li, Y, Cao, D.
登録日2017-10-31
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups.
Eur.J.Med.Chem., 150, 2018
6KHI
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BU of 6khi by Molmil
Supercomplex for cylic electron transport in cyanobacteria
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
登録日2019-07-15
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
6LIH
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BU of 6lih by Molmil
BRD4 BD1 bound with compound 10
分子名称: (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.
登録日2019-12-11
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62030542 Å)
主引用文献BRD4 BD1 bound with compound 10
To Be Published
6LIM
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BU of 6lim by Molmil
BRD4-BD1 bound with compound 40
分子名称: (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D, Li, Y.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75909507 Å)
主引用文献BRD4-BD1 bound with compound 40
To Be Published
6KHJ
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BU of 6khj by Molmil
Supercomplex for electron transfer
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
登録日2019-07-15
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
6M3W
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BU of 6m3w by Molmil
Post-fusion structure of SARS-CoV spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Fan, X, Cao, D, Zhang, X.
登録日2020-03-04
公開日2020-06-03
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM analysis of the post-fusion structure of the SARS-CoV spike glycoprotein.
Nat Commun, 11, 2020
6IZQ
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BU of 6izq by Molmil
PRMT4 bound with a bicyclic compound
分子名称: (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1
著者Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K.
登録日2018-12-20
公開日2019-12-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
4R3M
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BU of 4r3m by Molmil
Crystal structure of Human Hsp90 with JR9
分子名称: Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
著者Li, J, Yang, M, Ren, J, Xiong, B, He, J.
登録日2014-08-16
公開日2014-11-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity.
Org.Biomol.Chem., 13, 2015
7BST
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BU of 7bst by Molmil
EcoR124I-Ocr in the Intermediate State
分子名称: Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
著者Gao, Y, Gao, P.
登録日2020-03-31
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.37 Å)
主引用文献Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BTR
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BU of 7btr by Molmil
EcoR124I-ArdA in the Restriction-Alleviation State
分子名称: Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
著者Gao, Y, Gao, P.
登録日2020-04-02
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.54 Å)
主引用文献Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
4WI2
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BU of 4wi2 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc (wild-type)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
著者Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
登録日2014-09-25
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI7
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BU of 4wi7 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H435A
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
著者Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
登録日2014-09-25
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI8
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BU of 4wi8 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation Y436A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose, ...
著者Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
登録日2014-09-25
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI5
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Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H310A
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
著者Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
登録日2014-09-25
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI3
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Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
著者Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
登録日2014-09-25
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI6
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BU of 4wi6 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation N434A
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
著者Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
登録日2014-09-25
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI4
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BU of 4wi4 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
著者Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
登録日2014-09-25
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI9
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BU of 4wi9 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A/H310A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, ...
著者Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
登録日2014-09-25
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
7VCF
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BU of 7vcf by Molmil
Cryo-EM structure of Chlamydomonas TOC-TIC supercomplex
分子名称: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
著者Wu, J, Yan, Z, Jin, Z, Zhang, Y.
登録日2021-09-02
公開日2022-11-30
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structure of a TOC-TIC supercomplex spanning two chloroplast envelope membranes.
Cell, 185, 2022
4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
分子名称: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013

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