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7DFH
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BU of 7dfh by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Zhou, Z, Yu, X.
登録日2020-11-08
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
分子名称: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
著者Li, Z, Zhou, Z, Yu, X.
登録日2020-11-08
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOI
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BU of 7doi by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir.
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Yu, X.
登録日2020-12-14
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOK
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BU of 7dok by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Yu, X.
登録日2020-12-14
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7TAI
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BU of 7tai by Molmil
Structure of STEAP2 in complex with ligands
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Wang, L, Chen, K.H, Zhou, M.
登録日2021-12-20
公開日2023-01-25
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of stepwise electron transfer in six-transmembrane epithelial antigen of the prostate (STEAP) 1 and 2.
Elife, 12, 2023
7TTH
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BU of 7tth by Molmil
Human potassium-chloride cotransporter 1 in inward-open state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4
著者Zhao, Y.X, Cao, E.H.
登録日2022-02-01
公開日2022-06-29
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TTI
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BU of 7tti by Molmil
Human KCC1 bound with VU0463271 In an outward-open state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4
著者Zhao, Y.X, Cao, E.H.
登録日2022-02-01
公開日2022-06-29
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TWD
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BU of 7twd by Molmil
Structure of AAGAB C-terminal dimerization domain
分子名称: Alpha- and gamma-adaptin-binding protein p34, PHOSPHATE ION
著者Tian, Y, Yin, Q.
登録日2022-02-07
公開日2023-01-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Oligomer-to-monomer transition underlies the chaperone function of AAGAB in AP1/AP2 assembly.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
5Z0S
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BU of 5z0s by Molmil
Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor
分子名称: 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1
著者Liu, Q, Xu, Y.
登録日2017-12-20
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
8JKD
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BU of 8jkd by Molmil
Cryo-EM structure of CCHFV envelope protein Gc trimer in complex with Gc13 Fab
分子名称: Glycoprotein C
著者Chong, T, Cao, S.
登録日2023-06-01
公開日2024-01-24
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus.
Plos Pathog., 20, 2024
8JLW
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BU of 8jlw by Molmil
CCHFV envelope protein Gc in complex with Gc8
分子名称: Glycoprotein C,CCHFV envelope protein Gc fusion loops, Mouse antibody Gc8 heavy chain, Mouse antibody Gc8 light chain
著者Chong, T, Cao, S.
登録日2023-06-03
公開日2024-01-24
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus.
Plos Pathog., 20, 2024
8JLX
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BU of 8jlx by Molmil
CCHFV envelope protein Gc in complex with Gc13
分子名称: Glycoprotein C,CCHFV Gc fusion loops, Mouse antibody Gc13 heavy chain, Mouse antibody Gc13 light chain
著者Chong, T, Cao, S.
登録日2023-06-03
公開日2024-01-24
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus.
Plos Pathog., 20, 2024
6AFR
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BU of 6afr by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol
分子名称: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
著者Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
8HJU
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BU of 8hju by Molmil
Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 10,000 lux
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ...
著者Xu, X, Xin, J.
登録日2022-11-23
公開日2023-09-20
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
8HJV
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BU of 8hjv by Molmil
Cryo-EM structure of carotenoid-depleted RC-LH complex from Roseiflexus castenholzii at 10,000 lux
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ...
著者Xu, X, Xin, J.
登録日2022-11-23
公開日2023-09-20
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
8J5P
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BU of 8j5p by Molmil
Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 2,000lux
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ...
著者Xu, X, Xin, J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
8J5O
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BU of 8j5o by Molmil
Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 100lux
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ...
著者Xu, X, Xin, J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
5ILA
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BU of 5ila by Molmil
Deg9 protease domain
分子名称: Protease Do-like 9
著者Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
登録日2016-03-04
公開日2017-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
5ILB
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BU of 5ilb by Molmil
Crystal structure of protease domain of Deg2 linked with the PDZ domain of Deg9
分子名称: Protease Do-like 2, chloroplastic,Protease Do-like 9
著者Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
登録日2016-03-04
公開日2017-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
1T6N
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BU of 1t6n by Molmil
Crystal structure of the N-terminal domain of human UAP56
分子名称: CITRATE ANION, Probable ATP-dependent RNA helicase
著者Zhao, R.
登録日2004-05-06
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal Structure of UAP56, a DExD/H-Box Protein Involved in Pre-mRNA Splicing and mRNA Export
Structure, 12, 2004
5IL9
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BU of 5il9 by Molmil
Crystal structure of Deg9
分子名称: GLYCEROL, Protease Do-like 9
著者Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
登録日2016-03-04
公開日2017-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
6M08
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BU of 6m08 by Molmil
Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor.
分子名称: (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase
著者Hu, H.C, Xu, Y.C.
登録日2020-02-20
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
5YE9
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BU of 5ye9 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
分子名称: N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION
著者Liu, Q.F, Xu, Y.C.
登録日2017-09-15
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.876 Å)
主引用文献Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017

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件を2024-05-15に公開中

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