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5YLE
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BU of 5yle by Molmil
MCR-1 complex with ethanolamine (ETA)
分子名称: ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
著者Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
登録日2017-10-17
公開日2017-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
5CRM
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BU of 5crm by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-23
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5GZF
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BU of 5gzf by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
分子名称: Galectin-8, NICKEL (II) ION, SODIUM ION, ...
著者Su, J.Y, Si, Y.L.
登録日2016-09-28
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
5CQT
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BU of 5cqt by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-22
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CY9
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BU of 5cy9 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-30
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5D0C
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BU of 5d0c by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-08-03
公開日2016-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CTL
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BU of 5ctl by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-24
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
7WD0
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BU of 7wd0 by Molmil
SARS-CoV-2 Beta spike in complex with two S5D2 Fabs
分子名称: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-20
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WDF
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BU of 7wdf by Molmil
SARS-CoV-2 Beta spike in complex with two S3H3 Fabs
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-21
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD9
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BU of 7wd9 by Molmil
SARS-CoV-2 Beta spike in complex with three S3H3 Fabs
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-21
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD7
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BU of 7wd7 by Molmil
SARS-CoV-2 Beta spike in complex with three S5D2 Fabs
分子名称: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-21
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WCZ
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BU of 7wcz by Molmil
SARS-CoV-2 Beta spike in complex with one S5D2 Fab
分子名称: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-20
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WCR
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BU of 7wcr by Molmil
RBD-1 of SARS-CoV-2 Beta spike in complex with S5D2 Fab
分子名称: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-20
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD8
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BU of 7wd8 by Molmil
SARS-CoV-2 Beta spike SD1 in complex with S3H3 Fab
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-21
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7X8X
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BU of 7x8x by Molmil
structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
分子名称: 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ...
著者Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
登録日2022-03-15
公開日2023-04-12
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors
J.Med.Chem., 66, 2023
5DX4
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BU of 5dx4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-09-23
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CRZ
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BU of 5crz by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-23
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
7WM0
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BU of 7wm0 by Molmil
Cryo-EM structure of the Omicron RBD in complex with 35B5 Fab( local refinement of the RBD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-08-17
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope
Cell Host Microbe, 30, 2022
7WLY
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BU of 7wly by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-05-25
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
7WLZ
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BU of 7wlz by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down-, 1 up- and 1 invisible RBDs)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-05-25
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
5DG2
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BU of 5dg2 by Molmil
Sugar binding protein - human galectin-2 (dimer)
分子名称: Galectin-2, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Su, J.Y, Si, Y.L.
登録日2015-08-27
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.612 Å)
主引用文献Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
5DG1
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BU of 5dg1 by Molmil
Sugar binding protein - human galectin-2
分子名称: Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y, Si, Y.L.
登録日2015-08-27
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim.Biophys.Sin., 2016
6XVF
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BU of 6xvf by Molmil
Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Amporndanai, K, Hasnain, S.S, Antonyuk, S.V.
登録日2020-01-21
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
6W7G
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BU of 6w7g by Molmil
Structure of EED bound to inhibitor 1056
分子名称: 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2020-03-19
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
6XRJ
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BU of 6xrj by Molmil
Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage
分子名称: DH717.1 heavy chain Fab fragment, DH717.1 light chain Fab fragment
著者Manne, K, Nicely, N.I, Acharya, P.
登録日2020-07-13
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021

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