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7E4A
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BU of 7e4a by Molmil
Crystal structure of MIF bound to compound 13
分子名称: CHLORIDE ION, Flavoxate, Macrophage migration inhibitory factor, ...
著者Fa, C.P, Guo, D.Y, Yang, L.
登録日2021-02-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.475 Å)
主引用文献Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
7FCZ
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BU of 7fcz by Molmil
Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor
分子名称: N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2021-07-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
7FD0
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BU of 7fd0 by Molmil
Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor
分子名称: N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2021-07-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
7FAT
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BU of 7fat by Molmil
Structure Determination of the RBD-NB1A7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nb_1A7
著者Geng, Y, Shi, Z.Z, Li, X.Y, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C.
登録日2021-07-07
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis of nanobodies neutralizing SARS-CoV-2 variants
Structure, 30, 2022
7FAU
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BU of 7fau by Molmil
Structure Determination of the NB1B11-RBD Complex
分子名称: NB_1B11, Spike protein S1, ZINC ION
著者Shi, Z.Z, Li, X.X, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C, Cui, Q.Q, Qiao, H.R, Lan, Z.Y, Zhang, X.
登録日2021-07-07
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis of nanobodies neutralizing SARS-CoV-2 variants.
Structure, 30, 2022
8V7Z
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BU of 8v7z by Molmil
Phosphorylated, ATP-bound, E1371Q human cystic fibrosis transmembrane conductance regulator (E1371Q-CFTR)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Gao, X, Hwang, T.
登録日2023-12-04
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore
Nat Commun, 2024
8V81
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BU of 8v81 by Molmil
Phosphorylated, ATP-bound, inhibitor 172-bound E1371Q human cystic fibrosis transmembrane conductance regulator
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Gao, X, Hwang, T.
登録日2023-12-04
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore
Nat Commun, 2024
4XX8
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BU of 4xx8 by Molmil
Crystal structure of Pro1 deletion mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
著者Pantouris, G, Lolis, E.
登録日2015-01-30
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4P01
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BU of 4p01 by Molmil
Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with N-[(4-cyanophenyl)methyl]methanethioamide
分子名称: CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Pantouris, G, Lolis, E.
登録日2014-02-19
公開日2014-03-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4P0H
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BU of 4p0h by Molmil
Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with Dimethylformamide
分子名称: DIMETHYLFORMAMIDE, GLYCEROL, Macrophage migration inhibitory factor
著者Pantouris, G, Lolis, E.
登録日2014-02-21
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4PKZ
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BU of 4pkz by Molmil
Crystal structure of P1M mutant of Macrophage Migration Inhibitory Factor
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
著者Pantouris, G, Lolis, E.
登録日2014-05-15
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An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4PLU
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BU of 4plu by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with benzaldehyde
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION, ...
著者Pantouris, G, Lolis, E.
登録日2014-05-19
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4QNC
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BU of 4qnc by Molmil
Crystal structure of a SemiSWEET in an occluded state
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, chemical transport protein
著者Yan, X, Yuyong, T, Liang, F, Perry, K.
登録日2014-06-17
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Structures of bacterial homologues of SWEET transporters in two distinct conformations.
Nature, 515, 2014
4XX7
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BU of 4xx7 by Molmil
Crystal structure of M2A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2015-01-29
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4QND
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BU of 4qnd by Molmil
Crystal structure of a SemiSWEET
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Chemical transport protein, ...
著者Yan, X, Yuyong, T, Liang, F, Perry, K.
登録日2014-06-17
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Structures of bacterial homologues of SWEET transporters in two distinct conformations.
Nature, 515, 2014
6K1T
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BU of 6k1t by Molmil
The structure of Francisella virulence factor BioJ
分子名称: Alpha/beta hydrolase fold family protein
著者Ouyang, S, Guan, H, Zhang, S.
登録日2019-05-12
公開日2020-04-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Molecular Basis of BioJ, a Unique Gatekeeper in Bacterial Biotin Synthesis.
Iscience, 19, 2019
6KS5
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BU of 6ks5 by Molmil
Crystal structure of Legionella pneumophila deubiquitinase Ceg23
分子名称: Type IV secretion protein Dot
著者Qiu, J.Z, Ouyang, S.Y.
登録日2019-08-23
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The bacterial deubiquitinase Ceg23 regulates the association of Lys-63-linked polyubiquitin molecules on theLegionellaphagosome.
J.Biol.Chem., 295, 2020
6L00
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BU of 6l00 by Molmil
Crystal structure of the cell-wall binding domain (CBD) of endolysin LysIME-EF1
分子名称: Lysin
著者Ouyang, S.Y, Zhen, X.K.
登録日2019-09-25
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional insights into a novel two-component endolysin encoded by a single gene in Enterococcus faecalis phage.
Plos Pathog., 16, 2020
6IST
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BU of 6ist by Molmil
Crystal structure of a wild type endolysin LysIME-EF1
分子名称: CALCIUM ION, Lysin
著者Ouyang, S.Y.
登録日2018-11-19
公開日2019-11-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional insights into a novel two-component endolysin encoded by a single gene in Enterococcus faecalis phage.
Plos Pathog., 16, 2020
6LKX
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BU of 6lkx by Molmil
The structure of PRRSV helicase
分子名称: CITRIC ACID, GLYCEROL, RNA-dependent RNA polymerase, ...
著者Shi, Y.J, Tong, X.H, Peng, G.Q.
登録日2019-12-20
公開日2020-05-27
最終更新日2021-06-09
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Structural Characterization of the Helicase nsp10 Encoded by Porcine Reproductive and Respiratory Syndrome Virus.
J.Virol., 94, 2020
5KW1
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BU of 5kw1 by Molmil
Crystal Structure of the Two Tandem RRM Domains of PUF60 Bound to a Modified AdML Pre-mRNA 3' Splice Site Analogue
分子名称: CHLORIDE ION, DNA/RNA (30-MER), Poly(U)-binding-splicing factor PUF60
著者Crichlow, G.V, Hsiao, H.-H, Albright, R, Lolis, E.J, Braddock, D.T.
登録日2016-07-15
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
5KVY
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BU of 5kvy by Molmil
CRYSTAL STRUCTURE OF THE TWO TANDEM RRM DOMAINS OF PUF60 BOUND TO A PORTION OF AN ADML PRE-MRNA 3' SPLICE SITE ANALOG
分子名称: CHLORIDE ION, DNA (30-MER), Poly(U)-binding-splicing factor PUF60
著者Hsiao, H.-H, Crichlow, G.V, Albright, R.A, Murphy, J.W, Lolis, E.J, Braddock, D.T.
登録日2016-07-15
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
5KWQ
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BU of 5kwq by Molmil
Two Tandem RRM Domains of FBP-Interacting Repressor (FIR), also Known as PUF60
分子名称: Poly(U)-binding-splicing factor PUF60
著者Crichlow, G.V, Yang, Y, Zhou, H, Lolis, E.J, Braddock, D.T.
登録日2016-07-18
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
5KW6
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BU of 5kw6 by Molmil
Two Tandem RRM Domains of PUF60 Bound to an AdML Pre-mRNA 3' Splice Site Analogue with a Modified Binding-Site Nucleic Acid Base
分子名称: DNA (30-MER), Poly(U)-binding-splicing factor PUF60
著者Crichlow, G.V, Hsiao, H.-H, Albright, R, Lolis, E.J, Braddock, D.T.
登録日2016-07-15
公開日2017-08-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
7CAI
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BU of 7cai by Molmil
SARS-CoV-2 S trimer with two RBDs in the open state and complexed with two H014 Fab
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 H014 Fab, ...
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-09-23
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020

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