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5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
Descriptor: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
Authors:Gao, M, Cai, W, Chunwa, C.
Deposit date:2017-11-01
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
5Z9E
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BU of 5z9e by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9N
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BU of 5z9n by Molmil
S.aureus GyrB ATPase domain in complex with 4,6-dichloro-2-(methylthio)pyrimidine
Descriptor: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
8WIL
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BU of 8wil by Molmil
Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D55 construct)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Jingmen tick virus NSP1, ...
Authors:Wang, X, Jing, X, Deng, F, Gong, P.
Deposit date:2023-09-24
Release date:2024-01-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A jingmenvirus RNA-dependent RNA polymerase structurally resembles the flavivirus counterpart but with different features at the initiation phase.
Nucleic Acids Res., 52, 2024
8WIM
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BU of 8wim by Molmil
Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D307 construct)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Jingmen tick virus NSP1, ...
Authors:Wang, X, Jing, X, Deng, F, Gong, P.
Deposit date:2023-09-24
Release date:2024-01-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A jingmenvirus RNA-dependent RNA polymerase structurally resembles the flavivirus counterpart but with different features at the initiation phase.
Nucleic Acids Res., 52, 2024
5Z9F
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BU of 5z9f by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9L
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BU of 5z9l by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z4O
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BU of 5z4o by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 4-phenoxyphenol, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-01-12
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9Q
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BU of 5z9q by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-04
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9M
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BU of 5z9m by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1-benzofuran-2-carboxylic acid, DNA gyrase subunit B, SULFATE ION
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9B
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BU of 5z9b by Molmil
Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine
Descriptor: (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z4H
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BU of 5z4h by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-01-11
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
7V9L
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BU of 7v9l by Molmil
Cryo-EM structure of the SV1-Gs complex.
Descriptor: GHRH receptor splice variant 1,GHRH receptor splice variant 1,GHRH receptor splice variant 1,SV1, 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, ...
Authors:Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Cheng, X, Yang, D.H, Wang, M.W.
Deposit date:2021-08-26
Release date:2022-04-06
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BTK
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BU of 7btk by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01
Descriptor: 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y.
Deposit date:2020-04-01
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
7Y7M
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BU of 7y7m by Molmil
The structure of coxsackievirus A16 mature virion in complex with Fab 8C4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-06-22
Release date:2022-08-24
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
7DTE
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BU of 7dte by Molmil
SARS-CoV-2 RdRP catalytic complex with T33-1 RNA
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (33-MER), ...
Authors:Wang, Q, Gong, P.
Deposit date:2021-01-04
Release date:2021-10-20
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Remdesivir overcomes the S861 roadblock in SARS-CoV-2 polymerase elongation complex.
Cell Rep, 37, 2021
7YMS
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BU of 7yms by Molmil
Cryo-EM structure of Coxsackievirus A16 in complex with a neutralizing antibody 9B5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-07-29
Release date:2022-08-24
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
7YRH
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BU of 7yrh by Molmil
Cryo-EM structure of compact coxsackievirus A16 empty particle in complex with a neutralizing antibody 9B5
Descriptor: Capsid protein VP1, Capsid protein VP3, Genome polyprotein, ...
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-08-10
Release date:2022-09-14
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
7YRF
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BU of 7yrf by Molmil
Cryo-EM structure of compact CA16 empty particle in complex with a neutralizing antibody 8C4
Descriptor: Capsid protein VP3, Genome polyprotein, Light chain of chain, ...
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-08-09
Release date:2022-09-14
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
7YV7
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BU of 7yv7 by Molmil
Cryo-EM structure of expanded coxsackievirus A16 empty particle in complex with antibody 9B5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-08-18
Release date:2022-10-19
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
7YV2
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BU of 7yv2 by Molmil
Cryo-EM structure of expanded coxsackievirus A16 empty particle after incubation with 8C4 antibody
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-08-18
Release date:2022-10-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
6KSW
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BU of 6ksw by Molmil
Cryo-EM structure of the human concentrative nucleoside transporter CNT3
Descriptor: Solute carrier family 28 member 3
Authors:Zhou, Y.X, Liao, L.H, Li, J.L, Xiao, Q.J, Sun, L.F, Deng, D.
Deposit date:2019-08-26
Release date:2020-08-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of the human concentrative nucleoside transporter CNT3.
Plos Biol., 18, 2020
7WBO
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BU of 7wbo by Molmil
Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Chen, Y, Jin, T, Liu, G.
Deposit date:2021-12-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure Analysis of Sarcoplasmic-Calcium-Binding Protein: An Allergen in Scylla paramamosain.
J.Agric.Food Chem., 71, 2023
7E14
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BU of 7e14 by Molmil
Compound2_GLP-1R_OWL833_Gs complex structure
Descriptor: 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, CHOLESTEROL, G protein, ...
Authors:Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W.
Deposit date:2021-01-30
Release date:2021-07-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7WQ4
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BU of 7wq4 by Molmil
Galanin-bound galanin receptor 2 in complex with Gq
Descriptor: CHOLESTEROL, Engineered Guanine nucleotide-binding protein G(q) subunit alpha, Galanin, ...
Authors:Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
Deposit date:2022-01-24
Release date:2022-04-20
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022

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数据于2024-10-16公开中

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