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6KNW
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BU of 6knw by Molmil
THRb mutation with a novel agonist
分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B.Q, Li, Y.
登録日2019-08-07
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
7XLQ
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BU of 7xlq by Molmil
Structure of human R-type voltage-gated CaV2.3-alpha2/delta1-beta1 channel complex in the ligand-free (apo) state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Gao, Y, Qiu, Y, Wei, Y, Dong, Y, Zhang, X.C, Zhao, Y.
登録日2022-04-22
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular insights into the gating mechanisms of voltage-gated calcium channel Ca V 2.3.
Nat Commun, 14, 2023
6KKE
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BU of 6kke by Molmil
THRb mutation with a novel agonist
分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta
著者Yao, B.Q, Li, Y.
登録日2019-07-25
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.577 Å)
主引用文献Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KNV
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BU of 6knv by Molmil
THRb mutation with a novel agonist
分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B.Q, Li, Y.
登録日2019-08-07
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KKB
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BU of 6kkb by Molmil
A novel agonist of THRb
分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta
著者Yao, B.Q, Li, Y.
登録日2019-07-24
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KNU
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BU of 6knu by Molmil
THRb mutation with a novel agonist
分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B.Q, Li, Y.
登録日2019-08-07
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
5CSD
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BU of 5csd by Molmil
Ligand binding domain 2 of Penicillium marneffei MP1 protein in complex with arachidonic acids
分子名称: ARACHIDONIC ACID, Envelope glycoprotein, GLYCEROL
著者Lam, W.H, Zhang, H, Hao, Q.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Talaromyces marneffei Mp1p Is a Virulence Factor that Binds and Sequesters a Key Proinflammatory Lipid to Dampen Host Innate Immune Response
Cell Chem Biol, 24, 2017
6A2F
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BU of 6a2f by Molmil
Crystal structure of biosynthetic alanine racemase from Pseudomonas aeruginosa
分子名称: ACETATE ION, Alanine racemase, biosynthetic, ...
著者Dong, H, Li, S.
登録日2018-06-11
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enzymatic characterization and crystal structure of biosynthetic alanine racemase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 503, 2018
5E7X
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BU of 5e7x by Molmil
Ligand binding domain 1 of Penicillium marneffei MP1 protein in complex with palmitic acid
分子名称: ACETATE ION, Cell wall antigen, GLYCEROL, ...
著者Lam, W.H, Zhang, H, Hao, Q.
登録日2015-10-13
公開日2016-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Talaromyces marneffeiMp1 protein, a novel virulence factor, carries two arachidonic acid-binding domains to suppress inflammatory responses in hosts.
Infect. Immun., 2019
3HAC
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BU of 3hac by Molmil
The structure of DPP-4 in complex with piperidine fused imidazopyridine 34
分子名称: (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2009-05-01
公開日2009-07-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
8GW1
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BU of 8gw1 by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
著者Yan, L, Rao, Z, Lou, Z.
登録日2022-09-16
公開日2023-10-25
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWM
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BU of 8gwm by Molmil
SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP
分子名称: 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWK
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BU of 8gwk by Molmil
SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP
分子名称: Helicase, MAGNESIUM ION, Non-structural protein 7, ...
著者Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
4M5E
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BU of 4m5e by Molmil
Tse3 structure
分子名称: CADMIUM ION, CALCIUM ION, GLYCEROL, ...
著者Qian, Y.
登録日2013-08-08
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
7DK6
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BU of 7dk6 by Molmil
S-2H2-F2 structure, two RBDs are up and one RBD is down, each up RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCC
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BU of 7dcc by Molmil
S-3C1-F3b structure, all the three RBDs are in the up conformation and each of them associates with a 3C1 Fab
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-24
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDN
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BU of 7ddn by Molmil
SARS-Cov2 S protein at open state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-29
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD2
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BU of 7dd2 by Molmil
S-3C1-F2 structure, two RBDs are up and one RBD is down, the two up RBD bind with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK4
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BU of 7dk4 by Molmil
S-2H2-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDD
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BU of 7ddd by Molmil
SARS-Cov2 S protein at close state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-28
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCX
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BU of 7dcx by Molmil
S-3C1-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab that binds with the up RBD, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK7
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BU of 7dk7 by Molmil
S-2H2-F3b structure, three RBDs are up and each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain fragment of 2H2 Fab, The light chain fragment of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (9.7 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD8
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BU of 7dd8 by Molmil
S-3C1-F1 structure, one RBD is up and two RBDs are down, the up RBD binds with a 3C1 fab
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 chain
著者Cong, Y, Liu, C.X.
登録日2020-10-28
公開日2020-12-02
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK5
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BU of 7dk5 by Molmil
S-2H2-F1 structure, one RBD is up and two RBDs are down, only up RBD binds with a 2H2 Fab
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (13.5 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
3HAB
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BU of 3hab by Molmil
The structure of DPP4 in complex with piperidine fused benzimidazole 25
分子名称: (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2009-05-01
公開日2009-07-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009

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