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8HO5
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BU of 8ho5 by Molmil
Falcilysin in complex with MMV665806
分子名称: (2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Lin, J.Q, Chung, Z, Lescar, J.
登録日2022-12-09
公開日2023-12-20
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
8IF5
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BU of 8if5 by Molmil
AFB1-AF26 APTAMER COMPLEX
分子名称: AFB1 DNA aptamer (26-MER), AFLATOXIN B1
著者Xu, G.H, Wang, C, Li, C.G.
登録日2023-02-17
公開日2023-07-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for high-affinity recognition of aflatoxin B1 by a DNA aptamer.
Nucleic Acids Res., 51, 2023
7V4X
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BU of 7v4x by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
著者Wu, Y, Yu, H.
登録日2021-08-15
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V50
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BU of 7v50 by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
著者Wu, Y, Yu, H.
登録日2021-08-16
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
6ICV
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BU of 6icv by Molmil
Structure of SETD3 bound to SAH and unmodified actin
分子名称: Actin, cytoplasmic 1, Histone-lysine N-methyltransferase setd3, ...
著者Guo, Q, Liao, S, Xu, C, Structural Genomics Consortium (SGC)
登録日2018-09-07
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into SETD3-mediated histidine methylation on beta-actin.
Elife, 8, 2019
6LHC
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BU of 6lhc by Molmil
The cryo-EM structure of coxsackievirus A16 empty particle
分子名称: VP1, VP2, VP3
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-07
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHL
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BU of 6lhl by Molmil
The cryo-EM structure of coxsackievirus A16 A-particle in complex with Fab 18A7
分子名称: VP1 protein, VP2 protein, VP3 protein
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHB
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BU of 6lhb by Molmil
The cryo-EM structure of coxsackievirus A16 A-particle
分子名称: VP1, VP2, VP3
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-07
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHP
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BU of 6lhp by Molmil
The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 14B10
分子名称: SPHINGOSINE, VP1 protein, VP2 protein, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6L31
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BU of 6l31 by Molmil
L1 protein of human papillomavirus 6
分子名称: Major capsid protein L1
著者Li, S.W, Liu, X.L, Gu, Y.
登録日2019-10-07
公開日2019-12-25
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Neutralization sites of human papillomavirus-6 relate to virus attachment and entry phase in viral infection.
Emerg Microbes Infect, 8, 2019
6LHO
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BU of 6lho by Molmil
The cryo-EM structure of coxsackievirus A16 empty particle in complex with Fab 18A7
分子名称: VP1 protein, VP2 protein, VP3 protein
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHK
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BU of 6lhk by Molmil
The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 18A7
分子名称: SPHINGOSINE, VP1 protein, VP2 protein, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHA
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BU of 6lha by Molmil
The cryo-EM structure of coxsackievirus A16 mature virion
分子名称: SPHINGOSINE, VP1 protein, VP2 protein, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-07
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHQ
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BU of 6lhq by Molmil
The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab NA9D7
分子名称: SPHINGOSINE, VP1 protein, VP2 protein, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHT
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BU of 6lht by Molmil
Localized reconstruction of coxsackievirus A16 mature virion in complex with Fab 18A7
分子名称: SPHINGOSINE, VP1 protein, heavy chain variable region of Fab 18A7, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-10
公開日2020-02-05
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
7DIJ
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BU of 7dij by Molmil
Falcilysin in complex with MK-4815
分子名称: 1,2-ETHANEDIOL, 2-(aminomethyl)-3,5-ditert-butyl-phenol, ACETATE ION, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2020-11-19
公開日2021-12-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
7DIA
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BU of 7dia by Molmil
Falcilysin in complex with mefloquine
分子名称: (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2020-11-18
公開日2021-12-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
7DI7
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BU of 7di7 by Molmil
Falcilysin in complex with chloroquine
分子名称: ACETATE ION, Falcilysin, N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2020-11-18
公開日2021-12-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
7WMO
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BU of 7wmo by Molmil
A novel chemical derivative(92) of THRB agonist
分子名称: 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WML
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BU of 7wml by Molmil
A novel chemical derivative(85) of THRB agonist
分子名称: 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMJ
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BU of 7wmj by Molmil
A novel chemical derivative(71) of THRB agonist
分子名称: 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMH
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BU of 7wmh by Molmil
A novel chemical derivative(56) of THRB agonist
分子名称: 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMG
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BU of 7wmg by Molmil
A novel chemical derivative(52) of THRB agonist
分子名称: 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WLX
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A novel chemical derivative(53) of THRB agonist
分子名称: 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMN
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BU of 7wmn by Molmil
A novel chemical derivative(89) of THRB agonist
分子名称: 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
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022

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