7EKB
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![BU of 7ekb by Molmil](/molmil-images/mine/7ekb) | Crystal structure of 4E10 modified with pyrene acetamide | Descriptor: | ACETATE ION, Fab region of the heavy chain of broadly neutralizing antibody anti-HIV-1 4E10, Fab region of the light chain of the broadly neutralizing anti-HIV-1 antibody 4E10, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L. | Deposit date: | 2021-04-05 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile. Iscience, 24, 2021
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7EKK
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![BU of 7ekk by Molmil](/molmil-images/mine/7ekk) | Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide | Descriptor: | AMMONIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L. | Deposit date: | 2021-04-05 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile. Iscience, 24, 2021
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5U6V
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![BU of 5u6v by Molmil](/molmil-images/mine/5u6v) | X-ray crystal structure of 1,2,3-triazolobenzodiazepine in complex with BRD2(D2) | Descriptor: | 1,2-ETHANEDIOL, 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine, Bromodomain-containing protein 2 | Authors: | Hatfaludi, T, Sharp, P.P, Garnier, J.-M, Burns, C.J, Czabotar, P.E. | Deposit date: | 2016-12-09 | Release date: | 2017-12-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.775 Å) | Cite: | Design, Synthesis, and Biological Activity of 1,2,3-Triazolobenzodiazepine BET Bromodomain Inhibitors. ACS Med Chem Lett, 8, 2017
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7Z6O
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![BU of 7z6o by Molmil](/molmil-images/mine/7z6o) | X-Ray studies of Ku70/80 reveal the binding site for IP6 | Descriptor: | DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*AP*AP*AP*CP*TP*AP*AP*AP*AP*AP*C)-3'), INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Varela, P.F, Charbonnier, J.B. | Deposit date: | 2022-03-14 | Release date: | 2023-08-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction. Nucleic Acids Res., 51, 2023
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3KG1
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![BU of 3kg1 by Molmil](/molmil-images/mine/3kg1) | Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, mutant N63A | Descriptor: | CHLORIDE ION, SnoaB | Authors: | Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G. | Deposit date: | 2009-10-28 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism Biochemistry, 49, 2010
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6SHX
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![BU of 6shx by Molmil](/molmil-images/mine/6shx) | DNA mismatch repair proteins MLH1 and MLH3 | Descriptor: | DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION | Authors: | Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2019-08-08 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation. Proc.Natl.Acad.Sci.USA, 118, 2021
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6SNS
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![BU of 6sns by Molmil](/molmil-images/mine/6sns) | DNA mismatch repair proteins MLH1 and MLH3 | Descriptor: | DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION | Authors: | Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2019-08-27 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation. Proc.Natl.Acad.Sci.USA, 118, 2021
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8ASC
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![BU of 8asc by Molmil](/molmil-images/mine/8asc) | Ku70/80 binds to the Ku-binding motif of PAXX | Descriptor: | DNA (5'-D(P*CP*GP*GP*AP*TP*CP*GP*AP*GP*GP*GP*CP*CP*CP*GP*AP*TP*AP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*CP*CP*TP*CP*GP*AP*TP*CP*CP*G)-3'), Protein PAXX, ... | Authors: | Seif El Dahan, M, Ropars, V, Charbonnier, J.B. | Deposit date: | 2022-08-19 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF. Sci Adv, 9, 2023
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5MTK
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![BU of 5mtk by Molmil](/molmil-images/mine/5mtk) | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2017-01-09 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Playing against the odds: scaffold hopping from 3D-fragments To Be Published
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5MMV
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![BU of 5mmv by Molmil](/molmil-images/mine/5mmv) | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2016-12-12 | Release date: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) To Be Published
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5CIN
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![BU of 5cin by Molmil](/molmil-images/mine/5cin) | Crystal Structure of non-neutralizing version of 4E10 (DeltaLoop) with epitope bound | Descriptor: | CHLORIDE ION, FAB 4E10 HEAVY CHAIN, FAB 4E10 LIGHT CHAIN, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2015-07-13 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Thermodynamic Basis of Epitope Binding by Neutralizing and Nonneutralizing Forms of the Anti-HIV-1 Antibody 4E10 J.Virol., 89, 2015
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6FHN
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![BU of 6fhn by Molmil](/molmil-images/mine/6fhn) | Structural dynamics and catalytic properties of a multi-modular xanthanase (Pt derivative) | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | Deposit date: | 2018-01-15 | Release date: | 2018-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase Acs Catalysis, 2018
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6FHJ
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![BU of 6fhj by Molmil](/molmil-images/mine/6fhj) | Structural dynamics and catalytic properties of a multi-modular xanthanase, native. | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | Deposit date: | 2018-01-14 | Release date: | 2018-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase Acs Catalysis, 2018
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5CIL
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![BU of 5cil by Molmil](/molmil-images/mine/5cil) | Crystal Structure of non-neutralizing version of 4E10 (WDWD) with epitope bound | Descriptor: | ACETATE ION, CHLORIDE ION, FAB 4E10 HEAVY CHAIN, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2015-07-13 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural and Thermodynamic Basis of Epitope Binding by Neutralizing and Nonneutralizing Forms of the Anti-HIV-1 Antibody 4E10 J.Virol., 89, 2015
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6QUB
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![BU of 6qub by Molmil](/molmil-images/mine/6qub) | Truncated beta-galactosidase III from Bifidobacterium bifidum in complex with galactose | Descriptor: | Beta-galactosidase, CALCIUM ION, beta-D-galactopyranose | Authors: | Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M. | Deposit date: | 2019-02-27 | Release date: | 2020-03-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Truncated beta-galactosidase III from Bifidobacterium bifidum To Be Published
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6QUC
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![BU of 6quc by Molmil](/molmil-images/mine/6quc) | Truncated beta-galactosidase III from Bifidobacterium bifidum | Descriptor: | Beta-galactosidase, CALCIUM ION, IMIDAZOLE | Authors: | Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M. | Deposit date: | 2019-02-27 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Truncated beta-galactosidase III from Bifidobacterium bifidum To Be Published
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6QUD
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![BU of 6qud by Molmil](/molmil-images/mine/6qud) | 2-deoxy-galactose reaction intermediate of a Truncated beta-galactosidase III from Bifidobacterium bifidum | Descriptor: | 2-deoxy-alpha-D-galactopyranose, Beta-galactosidase, CALCIUM ION | Authors: | Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M. | Deposit date: | 2019-02-27 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Truncated beta-galactosidase III from Bifidobacterium bifidum To Be Published
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7Q47
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![BU of 7q47 by Molmil](/molmil-images/mine/7q47) | Endolysin from bacteriophage Enc34, catalytic domain | Descriptor: | CHLORIDE ION, Endolysin, SODIUM ION | Authors: | Cernooka, E, Rumnieks, J, Kazaks, A, Tars, K. | Deposit date: | 2021-10-29 | Release date: | 2021-11-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Diversity of the lysozyme fold: structure of the catalytic domain from an unusual endolysin encoded by phage Enc34. Sci Rep, 12, 2022
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6ERG
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![BU of 6erg by Molmil](/molmil-images/mine/6erg) | Complex of XLF and heterodimer Ku bound to DNA | Descriptor: | DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ... | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2017-10-18 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol., 25, 2018
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5J0G
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![BU of 5j0g by Molmil](/molmil-images/mine/5j0g) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P7/8 | Descriptor: | OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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6ERH
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![BU of 6erh by Molmil](/molmil-images/mine/6erh) | Complex of XLF and heterodimer Ku bound to DNA | Descriptor: | DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ... | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2017-10-18 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol., 25, 2018
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6RMN
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![BU of 6rmn by Molmil](/molmil-images/mine/6rmn) | DNA mismatch repair proteins MLH1 and MLH3 | Descriptor: | DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION | Authors: | Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2019-05-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation. Proc.Natl.Acad.Sci.USA, 118, 2021
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5J07
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![BU of 5j07 by Molmil](/molmil-images/mine/5j07) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P1/2 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-27 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5J0C
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![BU of 5j0c by Molmil](/molmil-images/mine/5j0c) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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6EHO
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![BU of 6eho by Molmil](/molmil-images/mine/6eho) | Dimer of the Sortilin Vps10p domain at low pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A. | Deposit date: | 2017-09-14 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin. Structure, 25, 2017
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