7DAJ
 
 | | The crystal structure of serotonin N-acetyltransferase in complex with acetyl-CoA from Oryza Sativa | | Descriptor: | ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, chloroplastic | | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAI
 | | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa | | Descriptor: | Serotonin N-acetyltransferase 1, chloroplastic | | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAL
 | | The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and acetyl-CoA from Oryza Sativa | | Descriptor: | ACETYL COENZYME *A, SEROTONIN, Serotonin N-acetyltransferase 1, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAK
 | | The crystal structure of a serotonin N-acetyltransferase in complex with 5-Methoxytryptamine and acetyl-CoA from Oryza Sativa | | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DEU
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | Authors: | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | | Deposit date: | 2020-11-05 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7DEO
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | | Authors: | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | | Deposit date: | 2020-11-04 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7BTK
 | | 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
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7BRS
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02 | | Descriptor: | 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y. | | Deposit date: | 2020-03-30 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DMY
 | | The crystal structure of Cpd7 in complex with BPTF bromodomain | | Descriptor: | Nucleosome-remodeling factor subunit BPTF, tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate | | Authors: | Xiong, L, Guo, Y, Yang, S. | | Deposit date: | 2020-12-08 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
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7DN4
 | | The crystal structure of Cpd8 in complex with BPTF bromodomain | | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Xiong, L, Guo, Y, Yang, S. | | Deposit date: | 2020-12-08 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.841 Å) | | Cite: | Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
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7BQA
 | | Crystal structure of ASFV p35 | | Descriptor: | 60 kDa polyprotein | | Authors: | Li, G.B, Fu, D, Chen, C, Guo, Y. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-24 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal structure of the African swine fever virus structural protein p35 reveals its role for core shell assembly.
Protein Cell, 11, 2020
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7BQ9
 | | Crystal structure of ASFV p15 | | Descriptor: | 60 kDa polyprotein | | Authors: | Fu, D, Chen, C, Guo, Y. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Structure of a bifunctional membrane-DNA binding protein, African swine fever virus p15
Protein Cell, 2020
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7WNH
 | | Crystal structure of Nurr1 binding to NBRE | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*AP*AP*AP*GP*GP*TP*CP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*GP*AP*CP*CP*TP*TP*TP*TP*CP*GP*G)-3'), Nuclear receptor subfamily 4 group A member 2, ... | | Authors: | Zhao, M, Xu, T, Wang, N, Guo, Y, Liu, J. | | Deposit date: | 2022-01-18 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Integrative analysis reveals structural basis for transcription activation of Nurr1 and Nurr1-RXR alpha heterodimer.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XJ5
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | | Deposit date: | 2022-04-15 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
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7XIS
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | | Descriptor: | (2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate, MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ... | | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | | Deposit date: | 2022-04-14 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
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7XIU
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | | Deposit date: | 2022-04-14 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
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7XIT
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | | Deposit date: | 2022-04-14 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
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7XJ7
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... | | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | | Deposit date: | 2022-04-15 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
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7XJ4
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester | | Descriptor: | MANGANESE (II) ION, Reverse Transcriptase RNase H domain, S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate, ... | | Authors: | Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. | | Deposit date: | 2022-04-15 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
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7XIN
 | | Crystal structure of DODC from Pseudomonas | | Descriptor: | DOPA decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Li, X, Zhou, Y.L, Liao, L.J, Liu, X.K, Liu, B, Guo, Y, Feng, Z, Sun, D.Y, Zeng, Z.X. | | Deposit date: | 2022-04-13 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of DODC from Pseudomonas
To Be Published
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7XIO
 | | Crystal structure of TYR from Ralstonia | | Descriptor: | PHOSPHATE ION, Polyphenol oxidase | | Authors: | Sun, D.Y, Cui, P.P, Liao, L.J, Liu, X.K, Liu, B, Guo, Y, Feng, Z, Zhang, J, Li, X, Zeng, Z.X. | | Deposit date: | 2022-04-13 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Crystal structure of TYR from Ralstonia
To Be Published
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8BAM
 | | Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, tenfold mutant active on propanol syringol | | Descriptor: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Alvigini, L, Mattevi, A. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol.
Acs Catalysis, 13, 2023
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8BAP
 | | Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, eightfold mutant active on propanol syringol | | Descriptor: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alvigini, L, Mattevi, A. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol.
Acs Catalysis, 13, 2023
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6J6M
 | | Co-crystal structure of BTK kinase domain with Zanubrutinib | | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | | Authors: | Zhou, X, Hong, Y. | | Deposit date: | 2019-01-15 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
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4EQ1
 | | Crystal Structure of the ARNT PAS-B homodimer | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Aryl hydrocarbon receptor nuclear translocator | | Authors: | Gardner, K.H, Key, J.M. | | Deposit date: | 2012-04-17 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Regulating the ARNT/TACC3 Axis: Multiple Approaches to Manipulating Protein/Protein Interactions with Small Molecules.
Acs Chem.Biol., 8, 2013
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