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7DZL
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BU of 7dzl by Molmil
A69C-M71L mutant of Fabp protein
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
6IER
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BU of 6ier by Molmil
Apo structure of a beta-glucosidase 1317
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, beta-glucosidase 1317
Authors:Xie, W, Liu, X.
Deposit date:2018-09-16
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Improving the cellobiose-hydrolysis activity and glucose-tolerance of a thermostable beta-glucosidase through rational design.
Int.J.Biol.Macromol., 136, 2019
5X0Y
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BU of 5x0y by Molmil
Complex of Snf2-Nucleosome complex with Snf2 bound to SHL2 of the nucleosome
Descriptor: DNA (167-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Li, M, Liu, X, Xia, X, Chen, Z, Li, X.
Deposit date:2017-01-23
Release date:2017-04-19
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.69 Å)
Cite:Mechanism of chromatin remodelling revealed by the Snf2-nucleosome structure.
Nature, 544, 2017
7E5X
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BU of 7e5x by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE apo form at 2.2 angstrom
Descriptor: 3C-like proteinase
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-02-21
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WRP
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BU of 7wrp by Molmil
Crystal Structure of pks13-ACP domain from Corynebacterium diphtheriae
Descriptor: 4'-PHOSPHOPANTETHEINE, Polyketide synthase involved in mycolic acid biosynthesis
Authors:Liu, X.
Deposit date:2022-01-27
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae.
Biochem.Biophys.Res.Commun., 590, 2022
6JC0
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BU of 6jc0 by Molmil
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: Putative molybdenum cofactor biosynthesis protein, Putative molybdenum cofactor biosynthesis protein D2 (MoaD2) / thiamine S
Authors:Liu, X, Wang, H.Y.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
Descriptor: 3C-like proteinase
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-08-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
6KSE
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BU of 6kse by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria tuberculosisin complex with C18CoA
Descriptor: Acyl-CoA dehydrogenase FadE5, FLAVIN-ADENINE DINUCLEOTIDE, STEAROYL-COENZYME A
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KPT
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BU of 6kpt by Molmil
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-16
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KRI
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BU of 6kri by Molmil
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis with product released
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-21
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6JZA
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BU of 6jza by Molmil
Structure of Fstl1
Descriptor: Follistatin-related protein 1
Authors:Liu, X, Ning, W.
Deposit date:2019-04-30
Release date:2019-08-21
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional study of FK domain of Fstl1.
Protein Sci., 28, 2019
6KS9
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BU of 6ks9 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KSA
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BU of 6ksa by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C18CoA
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KSB
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BU of 6ksb by Molmil
Crystal Structure of E447A M130G Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ8
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BU of 6lq8 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C22CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-11-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
7DVP
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BU of 7dvp by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate
Descriptor: 3C-like proteinase, nsp4/5 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-14
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DW0
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BU of 7dw0 by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate
Descriptor: 3C-like proteinase, nsp14/15 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DW6
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BU of 7dw6 by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate
Descriptor: 3C-like proteinase, nsp15/16 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVY
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BU of 7dvy by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate
Descriptor: 3C-like proteinase, nsp9/10 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVX
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BU of 7dvx by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate
Descriptor: 3C-like proteinase, nsp6/7 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVW
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BU of 7dvw by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
5X62
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BU of 5x62 by Molmil
Crystal structure of a carnosine N-methyltransferase bound by AdoHcy
Descriptor: Carnosine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION
Authors:Xie, W, Liu, X.
Deposit date:2017-02-20
Release date:2017-07-26
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Substrate Recognition Mechanism of the Putative Yeast Carnosine N-methyltransferase
ACS Chem. Biol., 12, 2017
6IJZ
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BU of 6ijz by Molmil
Structure of a plant cation channel
Descriptor: Calcium permeable stress-gated cation channel 1
Authors:Sun, L, Wang, J, Liu, X.
Deposit date:2018-10-12
Release date:2018-12-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structure of the hyperosmolality-gated calcium-permeable channel OSCA1.2.
Nat Commun, 9, 2018
7EEY
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BU of 7eey by Molmil
The structure of the N-terminal doamin of the Schizosaccharomyces pombe Tad2 adenosine deaminase
Descriptor: SULFATE ION, tRNA-specific adenosine deaminase subunit tad2
Authors:Xie, W, Liu, X, Zhou, J.
Deposit date:2021-03-19
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional and structural investigation of N-terminal domain of the SpTad2/3 heterodimeric tRNA deaminase.
Comput Struct Biotechnol J, 19, 2021
7QHD
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BU of 7qhd by Molmil
Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide
Descriptor: (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F.
Deposit date:2021-12-12
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023

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