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6V8Z
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BU of 6v8z by Molmil
VRC03 and 10-1074 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure
分子名称: 10-1074 Fab Heavy Chain, 10-1074 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Henderson, R, Acharya, P.
登録日2019-12-12
公開日2020-02-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements.
Nat Commun, 11, 2020
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7MRY
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BU of 7mry by Molmil
Norovirus T=3 GII.4 HOV VLP
分子名称: VP1
著者Salmen, W, Hu, L, Prasad, B.
登録日2021-05-10
公開日2022-03-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Atomic structure of the predominant GII.4 human norovirus capsid reveals novel stability and plasticity.
Nat Commun, 13, 2022
6VTU
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BU of 6vtu by Molmil
DH717.1 Fab monomer in complex with man9 glycan
分子名称: DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ...
著者Fera, D, Bronkema, N.
登録日2020-02-13
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
6V8X
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BU of 6v8x by Molmil
VRC01 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure
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, Envelope glycoprotein gp120, ...
著者Henderson, R, Acharya, P.
登録日2019-12-12
公開日2020-02-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements.
Nat Commun, 11, 2020
6W7F
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BU of 6w7f by Molmil
Structure of EED bound to inhibitor 5285
分子名称: 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, 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 (2.2 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
4YES
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BU of 4yes by Molmil
Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin, ...
著者Orth, P.
登録日2015-02-24
公開日2015-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement.
Acs Med.Chem.Lett., 6, 2015
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
分子名称: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
著者Mohr, C.
登録日2015-11-10
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
3VM7
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BU of 3vm7 by Molmil
Structure of an Alpha-Amylase from Malbranchea cinnamomea
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
著者Zhou, P, Hu, S.Q, Zhou, Y, Han, P, Yang, S.Q, Jiang, Z.Q.
登録日2011-12-09
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Novel Multifunctional alpha-Amylase from the Thermophilic Fungus Malbranchea cinnamomea: Biochemical Characterization and Three-Dimensional Structure.
Appl Biochem Biotechnol., 170, 2013
8J7C
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BU of 8j7c by Molmil
Crystal structure of triosephosphate isomerase from Leishmania orientalis at 1.88A with an arsenic ion bound at Cys57
分子名称: ARSENIC, Triosephosphate isomerase
著者Kuaprasert, B, Attarataya, J, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Choowongkomon, K, Leartsakulpanich, U.
登録日2023-04-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Leishmania orientalis triosephosphate isomerase crystal structure at 1.45 angstroms resolution and its potential specific inhibitors
To be published
5ZKQ
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BU of 5zkq by Molmil
Crystal structure of the human platelet-activating factor receptor in complex with ABT-491
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ...
著者Cao, C, Zhao, Q, Zhang, X.C, Wu, B.
登録日2018-03-25
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
5ZKP
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BU of 5zkp by Molmil
Crystal structure of the human platelet-activating factor receptor in complex with SR 27417
分子名称: FLAVIN MONONUCLEOTIDE, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor
著者Cao, C, Zhao, Q, Zhang, X.C, Wu, B.
登録日2018-03-25
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
7Y6C
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BU of 7y6c by Molmil
Crystal structure of the EscE/EsaG/EsaH complex
分子名称: EscE/YscE/SsaE family type III secretion system needle protein co-chaperone, EscG/YscG/SsaH family type III secretion system needle protein co-chaperone
著者Zeng, Z.X, Xiao, S.B, Liao, L.J, Zhou, Y.Z.
登録日2022-06-18
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Secreted in a Type III Secretion System-Dependent Manner, EsaH and EscE Are the Cochaperones of the T3SS Needle Protein EsaG of Edwardsiella piscicida.
Mbio, 13, 2022
7RWR
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BU of 7rwr by Molmil
An RNA aptamer that decreases flavin redox potential
分子名称: FLAVIN MONONUCLEOTIDE, RNA (38-MER)
著者Gremminger, T, Li, J, Chen, S, Heng, X.
登録日2021-08-20
公開日2022-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An RNA aptamer that shifts the reduction potential of metabolic cofactors.
Nat.Chem.Biol., 18, 2022
8I71
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BU of 8i71 by Molmil
Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM)
分子名称: 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ...
著者Zhou, Z, Xu, Z.H.
登録日2023-01-30
公開日2023-03-22
最終更新日2023-04-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
J.Med.Chem., 66, 2023
7Y6B
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BU of 7y6b by Molmil
Crystal structure of the EscE/EsaH complex
分子名称: EscE/YscE/SsaE family type III secretion system needle protein co-chaperone, EscG/YscG/SsaH family type III secretion system needle protein co-chaperone
著者Zeng, Z.X, Xiao, S.B, Liao, L.J, Zhou, Y.Z.
登録日2022-06-18
公開日2022-07-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Secreted in a Type III Secretion System-Dependent Manner, EsaH and EscE Are the Cochaperones of the T3SS Needle Protein EsaG of Edwardsiella piscicida.
Mbio, 13, 2022
5XNB
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BU of 5xnb by Molmil
Crystal structure of the IcmS-IcmW-DotL complex of the Legionella type IVb secretion system
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DotL, IcmS protein, ...
著者Xu, J, Xu, D, Zhu, Y.
登録日2017-05-19
公開日2017-09-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Crystal Structure of The IcmS-IcmW Complex in the Legionella Type IVb Secretion System
To Be Published
5XG8
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BU of 5xg8 by Molmil
Galectin-13/Placental Protein 13 variant R53H crystal structure
分子名称: GLYCEROL, Galactoside-binding soluble lectin 13
著者Wang, Y, Su, J.Y.
登録日2017-04-12
公開日2018-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
著者Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-04
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
5XG7
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BU of 5xg7 by Molmil
Galectin-13/Placental Protein 13 crystal structure
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.Y, Wang, Y.
登録日2017-04-12
公開日2018-01-31
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
8WPU
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BU of 8wpu by Molmil
Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein
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, CALCIUM ION, ...
著者Ling, S.L, Meng, X.Y, Tian, C.L.
登録日2023-10-10
公開日2023-11-22
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
8WPG
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BU of 8wpg by Molmil
Human calcium-sensing receptor bound with cinacalcet in detergent
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, CALCIUM ION, ...
著者Ling, S.L, Meng, X.Y, Tian, C.L.
登録日2023-10-10
公開日2023-11-22
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
5XXH
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BU of 5xxh by Molmil
Crystal Structure Analysis of the CBP
分子名称: (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M.
登録日2017-07-04
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018

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