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7CZJ
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The Crystal Structure of Family 20 CBM of Maltotetraose-forming Amylase from Pseudomonas Saccharophila STB07
分子名称: Glucan 1,4-alpha-maltotetraohydrolase, SULFATE ION
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M.
登録日2020-09-08
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献The Crystal Structure of Family 20 CBM of Maltotetraose-forming Amylase from Pseudomonas Saccharophila STB07
To Be Published
7DQZ
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Crystal structure of SARS 3C-like protease in apo form
分子名称: 3C-like proteinase
著者Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
登録日2020-12-24
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.24916625 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EW3
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Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, C, Wang, W, Wang, H.L, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
7EW7
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Cryo-EM structure of SEW2871-bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
分子名称: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EVY
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Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EW1
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Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with Gi protein
分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EW4
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Cryo-EM structure of CYM-5541-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Zhao, C, Wang, W, Wang, H.L, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
7EVZ
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Cryo-EM structure of cenerimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
分子名称: (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EW0
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BU of 7ew0 by Molmil
Cryo-EM structure of ozanimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
分子名称: 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yuan, Y, Jia, G.W, Su, Z.M, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EW2
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BU of 7ew2 by Molmil
Cryo-EM structure of pFTY720-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein
分子名称: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, C, Wang, W, Wang, H.L, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2808516 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7FEE
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BU of 7fee by Molmil
Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ...
著者Wang, X, Zhao, C, Shao, Z.
登録日2021-07-19
公開日2022-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7K7Q
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BU of 7k7q by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
7K7O
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
8H89
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BU of 8h89 by Molmil
Capsid of Ralstonia phage GP4
分子名称: Major capsid protein, Virion associated protein
著者Liu, H.R, Chen, W.Y.
登録日2022-10-22
公開日2022-11-16
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A Capsid Structure of Ralstonia solanacearum podoviridae GP4 with a Triangulation Number T = 9.
Viruses, 14, 2022
8JOU
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Fiber I and fiber-tail-adaptor of phage GP4
分子名称: Virion-associated phage protein, rope protein of phage GP4
著者Liu, H, Chen, W.
登録日2023-06-08
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Asymmetric Structure of Podophage GP4 Reveals a Novel Architecture of Three Types of Tail Fibers.
J.Mol.Biol., 435, 2023
8JOV
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Portal-tail complex of phage GP4
分子名称: Portal protein, Putative tail fiber protein, Virion associated protein, ...
著者Liu, H, Chen, W.
登録日2023-06-08
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Asymmetric Structure of Podophage GP4 Reveals a Novel Architecture of Three Types of Tail Fibers.
J.Mol.Biol., 435, 2023
1L2I
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BU of 1l2i by Molmil
Human Estrogen Receptor alpha Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol and a Glucocorticoid Receptor Interacting Protein 1 NR box II Peptide
分子名称: (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL, CHLORIDE ION, ESTROGEN RECEPTOR, ...
著者Shiau, A.K, Barstad, D, Radek, J.T, Meyers, M.J, Nettles, K.W, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Agard, D.A, Greene, G.L.
登録日2002-02-21
公開日2002-05-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
7WV9
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BU of 7wv9 by Molmil
Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ...
著者Xu, Z, Shao, Z.
登録日2022-02-10
公開日2022-06-15
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7XIC
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S-ECD (Omicron) in complex with STS165
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, Spike glycoprotein, ...
著者Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
登録日2022-04-12
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants.
Iscience, 25, 2022
7XID
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S-ECD (Omicron) in complex with PD of ACE2
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, Angiotensin-converting enzyme 2, ...
著者Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
登録日2022-04-12
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants.
Iscience, 25, 2022
7YAC
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BU of 7yac by Molmil
Paltusotine-bound SSTR2-Gi complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Zhao, J, Shao, Z.
登録日2022-06-27
公開日2023-04-19
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
7YAE
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Octreotide-bound SSTR2-Gi complex
分子名称: CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, J, Shao, Z.
登録日2022-06-28
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
7EAV
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The X-ray crystallographic structure of glycogen debranching enzyme from Sulfolobus solfataricus STB09
分子名称: Glycogen debranching enzyme
著者Li, Z.F, Ban, X.F, Tian, Y.X, Li, C.M, Cheng, L, Hong, Y, Gu, Z.B.
登録日2021-03-08
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献The X-ray Crystallographic Structure of Debranching Enzyme from Sulfolobus solfataricus STB09
To Be Published

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