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