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7RGF
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BU of 7rgf by Molmil
Protocadherin gammaC4 EC1-4 crystal structure disrupted trans interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
Deposit date:2021-07-15
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:How clustered protocadherin binding specificity is tuned for neuronal self-/nonself-recognition.
Elife, 11, 2022
7QZO
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BU of 7qzo by Molmil
Crystal structure of GacS D1 domain
Descriptor: CADMIUM ION, GLYCEROL, Histidine kinase
Authors:Fadel, F, Bassim, V, Botzanowski, T, Francis, V.I, Legrand, P, Porter, S.L, Bourne, Y, Cianferani, S, Vincent, F.
Deposit date:2022-01-31
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS.
Structure, 30, 2022
7QZ2
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BU of 7qz2 by Molmil
Crystal structure of GacS D1 domain in complex with BeF3-
Descriptor: BERYLLIUM TRIFLUORIDE ION, CADMIUM ION, Histidine kinase, ...
Authors:Fadel, F, Bassim, V, Botzanowski, T, Francis, V.I, Legrand, P, Porter, S.L, Bourne, Y, Cianferani, S, Vincent, F.
Deposit date:2022-01-30
Release date:2022-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS.
Structure, 30, 2022
5DJ8
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BU of 5dj8 by Molmil
Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJ6
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BU of 5dj6 by Molmil
Fc Heterodimer Design 6.1 F405W/Y407A + T366M
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJC
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BU of 5djc by Molmil
Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F
Descriptor: Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ...
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5AVA
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BU of 5ava by Molmil
Crystal structure of PHA-E lectin in complex with bisected glycan
Descriptor: CALCIUM ION, Erythroagglutinin, MANGANESE (II) ION, ...
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2015-06-12
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins
Sci Rep, 6, 2016
5DMH
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BU of 5dmh by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Uncharacterized protein conserved in bacteria
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-09-08
Release date:2015-10-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP.
To be published
5DK2
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BU of 5dk2 by Molmil
Fc Heterodimer E356K/D399K + K392D/K409D
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DLV
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BU of 5dlv by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA)
Descriptor: 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
5DJZ
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BU of 5djz by Molmil
Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5A3T
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BU of 5a3t by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid).
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-17
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5DK0
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BU of 5dk0 by Molmil
Fc Heterodimer Design 20.8.34 Y349S/T366M/K370Y/K409V + E356G/E357D/S364Q/Y407A
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJX
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BU of 5djx by Molmil
Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJY
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BU of 5djy by Molmil
Fc Heterodimer Design 20.8 Y349S/T366V/K370Y/K409V + E357D/S364Q/Y407A
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DZF
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BU of 5dzf by Molmil
Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with a mixed-linkage glucan octasaccharide
Descriptor: SULFATE ION, beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H.
Deposit date:2015-09-25
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
Plant J., 89, 2017
5E7G
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BU of 5e7g by Molmil
Crystal structure of Bacova_02650 with xylogluco-oligosaccharide
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, IPT/TIG domain-containing protein BACOVA_02650, ...
Authors:Koropatkin, N.M.
Deposit date:2015-10-12
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Molecular Dissection of Xyloglucan Recognition in a Prominent Human Gut Symbiont.
Mbio, 7, 2016
5DZY
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BU of 5dzy by Molmil
Protocadherin beta 8 extracellular cadherin domains 1-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pcdhb8 protein, ...
Authors:Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
5E76
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BU of 5e76 by Molmil
Crystal structure of Bacova_02651 with xylogluco-oligosaccharide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Koropatkin, N.M.
Deposit date:2015-10-11
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Dissection of Xyloglucan Recognition in a Prominent Human Gut Symbiont.
Mbio, 7, 2016
6KRV
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BU of 6krv by Molmil
Crystal structure of mouse IgG2b Fc complexed with B domain of Protein A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2B chain C region, ...
Authors:Taniguchi, Y, Satoh, T, Yagi, H, Kato, K.
Deposit date:2019-08-22
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q.
Int J Mol Sci, 21, 2019
6LDS
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BU of 6lds by Molmil
Structure of a K245A mutant of L-tyrosine decarboxylase from Methanocaldococcus jannaschii complexed with L-Tyr: External aldimine form
Descriptor: GLYCEROL, L-tyrosine/L-aspartate decarboxylase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine, ...
Authors:Manoj, N, Gayathri, S.C.
Deposit date:2019-11-23
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the mechanism of internal aldimine formation and catalytic loop dynamics in an archaeal Group II decarboxylase.
J.Struct.Biol., 208, 2019
6LC1
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BU of 6lc1 by Molmil
Structural basis of NR4A1 bound to the human pituitary proopiomelanocortin gene promoter
Descriptor: DNA, DNA (25-MER), Nuclear receptor subfamily 4 group A member 1, ...
Authors:Jiang, L, Chen, Y.
Deposit date:2019-11-16
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis of NR4A1 bound to the human pituitary proopiomelanocortin gene promoter.
Biochem.Biophys.Res.Commun., 523, 2020
6LER
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BU of 6ler by Molmil
169 bp nucleosome harboring non-identical cohesive DNA termini.
Descriptor: CALCIUM ION, DNA (169-MER), Histone H2A type 1-B/E, ...
Authors:Sharma, D, Adhireksan, Z, Lee, P.L, Davey, C.A.
Deposit date:2019-11-26
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6L8R
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BU of 6l8r by Molmil
membrane-bound PD-L1-CD
Descriptor: Programmed cell death 1 ligand 1
Authors:Maorong, W, Cao, Y, Bin, W, Bo, O.
Deposit date:2019-11-07
Release date:2020-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PD-L1 degradation is regulated by electrostatic membrane association of its cytoplasmic domain.
Nat Commun, 12, 2021
6MCO
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BU of 6mco by Molmil
Crystal structure of the B41 SOSIP.664 Env trimer with PGT124 and 35O22 Fabs, in P23 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ...
Authors:Kumar, S, Sarkar, A, Wilson, I.A.
Deposit date:2018-08-31
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.526 Å)
Cite:Capturing the inherent structural dynamics of the HIV-1 envelope glycoprotein fusion peptide.
Nat Commun, 10, 2019

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