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7WMN
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BU of 7wmn by Molmil
A novel chemical derivative(89) of THRB agonist
Descriptor: 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-15
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7E7D
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BU of 7e7d by Molmil
Cryo-EM structure of the SARS-CoV-2 wild-type S-Trimer from a subunit vaccine candidate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-OCTADECENOIC ACID, ...
Authors:Zheng, S, Ma, J.
Deposit date:2021-02-25
Release date:2021-03-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
7E7B
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BU of 7e7b by Molmil
Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
Authors:Zheng, S, Ma, J.
Deposit date:2021-02-25
Release date:2021-03-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Yun, C.H, Zhu, S.J, Yan, X.E.
Deposit date:2019-04-25
Release date:2020-04-29
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JWL
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BU of 6jwl by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with AZD9291
Descriptor: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Yun, C.H, Zhu, S.J, Yan, X.E.
Deposit date:2019-04-21
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JX4
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BU of 6jx4 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by soaking
Descriptor: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Zhu, S.J, Yan, X.E, Yun, C.H.
Deposit date:2019-04-22
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.531 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JX0
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BU of 6jx0 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Yun, C.H, Yan, X.E, Zhu, S.J.
Deposit date:2019-04-21
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
7KEF
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BU of 7kef by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state
Descriptor: (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Oh, J, Wang, D.
Deposit date:2020-10-10
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
7KED
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BU of 7ked by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Oh, J, Wang, W, Wang, D.
Deposit date:2020-10-10
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
7KEE
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BU of 7kee by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site
Descriptor: (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Oh, J, Wang, D.
Deposit date:2020-10-10
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
8J1V
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BU of 8j1v by Molmil
Cryo-EM structure of SARS-CoV2 Omicron BA.5 spike in complex with 8-9D Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-9D heavy chain, 8-9D light chain, ...
Authors:Xiang, Y, Li, R.
Deposit date:2023-04-13
Release date:2023-11-29
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
7EN0
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BU of 7en0 by Molmil
Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves
Descriptor: DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE
Authors:Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y.
Deposit date:2021-04-15
Release date:2021-05-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and activity of SLAC1 channels for stomatal signaling in leaves.
Proc.Natl.Acad.Sci.USA, 118, 2021
7DHT
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BU of 7dht by Molmil
Solution structure of ATG8f of Arabidopsis thaliana
Descriptor: Autophagy-related protein 8f
Authors:Lee, K.M, Sun, S.L, Wong, K.B.
Deposit date:2020-11-17
Release date:2021-12-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanistic insights into an atypical interaction between ATG8 and SH3P2 in Arabidopsis thaliana.
Autophagy, 18, 2022
8J1T
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BU of 8j1t by Molmil
Local refined cryo-EM structure of Omicron BA.5 RBD in complex with 8-9D Fab
Descriptor: 8-9D heavy chain, 8-9D light chain, Spike protein
Authors:Xiang, Y, Li, R.
Deposit date:2023-04-13
Release date:2023-11-29
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
7WWH
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BU of 7wwh by Molmil
Crystal structure of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE
Descriptor: Alpha/beta hydrolase
Authors:Yang, W, Wu, Y.
Deposit date:2022-02-12
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided rational design of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE to improve its thermostability.
Biochem.Biophys.Res.Commun., 600, 2022
7YD2
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BU of 7yd2 by Molmil
SulE_P44R_S209A
Descriptor: 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, ...
Authors:Liu, B, Ran, T, Wang, W, He, J.
Deposit date:2022-07-03
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
7Y0L
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BU of 7y0l by Molmil
SulE-S209A
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
Authors:Liu, B, Ran, T, He, J, Wang, W.
Deposit date:2022-06-05
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023

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数据于2024-08-07公开中

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