5H9A
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![BU of 5h9a by Molmil](/molmil-images/mine/5h9a) | Crystal structure of the Apo form of human cellular retinol binding protein 1 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-26 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5H8T
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![BU of 5h8t by Molmil](/molmil-images/mine/5h8t) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-23 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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8A00
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![BU of 8a00 by Molmil](/molmil-images/mine/8a00) | Infectious mouse-adapted ME7 scrapie prion fibril purified from terminally-infected mouse brains | Descriptor: | Major prion protein | Authors: | Manka, S.W, Wenborn, A, Betts, J, Joiner, S, Saibil, H.R, Collinge, J, Wadsworth, J.D.F. | Deposit date: | 2022-05-26 | Release date: | 2023-01-18 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A structural basis for prion strain diversity. Nat.Chem.Biol., 19, 2023
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4EAW
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![BU of 4eaw by Molmil](/molmil-images/mine/4eaw) | HCV NS5B in complex with IDX375 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide, ... | Authors: | Dousson, C.B, Paparin, J.-L, Surleraux, D, Augustin, M, Blaesse, M, Hoeppner, S, Krapp, S, Wenzkowski, C. | Deposit date: | 2012-03-22 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HCV NS5B in complex with IDX375 To be Published
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6RB3
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![BU of 6rb3 by Molmil](/molmil-images/mine/6rb3) | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC variant in complex with its substrate | Descriptor: | 2-heptylquinoline-3,4-diol, Putative dioxygenase (1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase) | Authors: | Wullich, S, Kobus, S, Smits, S.H, Fetzner, S. | Deposit date: | 2019-04-09 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC, a mycobacterial dioxygenase of the alpha / beta-hydrolase fold family. J.Struct.Biol., 207, 2019
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4FM5
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![BU of 4fm5 by Molmil](/molmil-images/mine/4fm5) | X-ray structure of des-methylflurbiprofen bound to murine COX-2 | Descriptor: | (2-fluorobiphenyl-4-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Xu, S, Banerjee, S, Windsor, M.A, Marnett, L.J. | Deposit date: | 2012-06-15 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes. ACS Med Chem Lett, 3, 2012
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3ZYT
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![BU of 3zyt by Molmil](/molmil-images/mine/3zyt) | |
3S96
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![BU of 3s96 by Molmil](/molmil-images/mine/3s96) | Crystal structure of 3B5H10 | Descriptor: | 3B5H10 FAB heavy chain, 3B5H10 FAB light chain | Authors: | Weisgraber, K, Peters-Libeu, C, Rutenber, E, Newhouse, Y, Finkbeiner, S. | Deposit date: | 2011-05-31 | Release date: | 2012-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure. J.Mol.Biol., 421, 2012
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6E8C
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![BU of 6e8c by Molmil](/molmil-images/mine/6e8c) | Crystal structure of the double homeodomain of DUX4 in complex with DNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4 | Authors: | Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H. | Deposit date: | 2018-07-27 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA. Cell Rep, 25, 2018
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5E3C
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![BU of 5e3c by Molmil](/molmil-images/mine/5e3c) | Structure of human DPP3 in complex with hemorphin like opioid peptide IVYPW | Descriptor: | Dipeptidyl peptidase 3, IVYPW, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-02 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.765 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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1NJ0
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![BU of 1nj0 by Molmil](/molmil-images/mine/1nj0) | NMR structure of a V3 (MN isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | Descriptor: | Exterior membrane glycoprotein(GP120) | Authors: | Sharon, M, Kessler, N, Levy, R, Zolla-Pazner, S, Gorlach, M, Anglister, J. | Deposit date: | 2002-12-30 | Release date: | 2003-02-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Alternative Conformations of HIV-1 V3 Loops Mimic
beta Hairpins in Chemokines, Suggesting a Mechanism
for Coreceptor Selectivity. Structure, 11, 2003
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5EKE
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![BU of 5eke by Molmil](/molmil-images/mine/5eke) | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (F215A mutant) | Descriptor: | MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501 | Authors: | Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2015-11-03 | Release date: | 2016-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis. Nat Commun, 7, 2016
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5F15
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![BU of 5f15 by Molmil](/molmil-images/mine/5f15) | Crystal Structure of ArnT from Cupriavidus metallidurans bound to Undecaprenyl phosphate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose (L-Ara4N) transferase, CHLORIDE ION, ... | Authors: | Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2015-11-30 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation. Science, 351, 2016
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8B0H
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![BU of 8b0h by Molmil](/molmil-images/mine/8b0h) | 2C9, C5b9-CD59 cryoEM structure | Descriptor: | CD59 glycoprotein, Complement C5, Complement component C6, ... | Authors: | Couves, E.C, Gardner, S, Bubeck, D. | Deposit date: | 2022-09-07 | Release date: | 2023-02-22 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for membrane attack complex inhibition by CD59. Nat Commun, 14, 2023
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5EZM
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![BU of 5ezm by Molmil](/molmil-images/mine/5ezm) | Crystal Structure of ArnT from Cupriavidus metallidurans in the apo state | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose transferase or related glycosyltransferases of PMT family, CHLORIDE ION, ... | Authors: | Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2015-11-26 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation. Science, 351, 2016
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5XZE
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![BU of 5xze by Molmil](/molmil-images/mine/5xze) | Mouse cGAS bound to the inhibitor RU332 | Descriptor: | (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | Deposit date: | 2017-07-12 | Release date: | 2017-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.177 Å) | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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8B0F
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![BU of 8b0f by Molmil](/molmil-images/mine/8b0f) | CryoEM structure of C5b8-CD59 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Bubeck, D, Couves, E.C, Gardner, S. | Deposit date: | 2022-09-07 | Release date: | 2023-02-22 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for membrane attack complex inhibition by CD59. Nat Commun, 14, 2023
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8B0G
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![BU of 8b0g by Molmil](/molmil-images/mine/8b0g) | 2C9, C5b9-CD59 structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD59 glycoprotein, Complement C5, ... | Authors: | Couves, E.C, Gardner, S, Bubeck, D. | Deposit date: | 2022-09-07 | Release date: | 2023-02-22 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for membrane attack complex inhibition by CD59. Nat Commun, 14, 2023
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5XZG
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![BU of 5xzg by Molmil](/molmil-images/mine/5xzg) | Mouse cGAS bound to the inhibitor RU521 | Descriptor: | 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | Deposit date: | 2017-07-12 | Release date: | 2017-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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5FLJ
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![BU of 5flj by Molmil](/molmil-images/mine/5flj) | enzyme-substrate-dioxygen complex of Ni-quercetinase | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, NICKEL (II) ION, ... | Authors: | Jeoung, J.-H, Nianios, D, Fetzner, S, Dobbek, H. | Deposit date: | 2015-10-26 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.818 Å) | Cite: | Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-on O2 -Ni Complex. Angew.Chem.Int.Ed.Engl., 55, 2016
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1NIZ
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![BU of 1niz by Molmil](/molmil-images/mine/1niz) | NMR structure of a V3 (MN isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | Descriptor: | Exterior membrane glycoprotein(GP120) | Authors: | Sharon, M, Kessler, N, Levy, R, Zolla-Pazner, S, Gorlach, M, Anglister, J. | Deposit date: | 2002-12-30 | Release date: | 2003-02-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Alternative Conformations of HIV-1 V3 Loops Mimic
beta Hairpins in Chemokines, Suggesting a Mechanism
for Coreceptor Selectivity. Structure, 11, 2003
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5XZB
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![BU of 5xzb by Molmil](/molmil-images/mine/5xzb) | Mouse cGAS bound to the inhibitor RU365 | Descriptor: | (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | Deposit date: | 2017-07-12 | Release date: | 2017-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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6FS3
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![BU of 6fs3 by Molmil](/molmil-images/mine/6fs3) | Phosphotriesterase PTE_A53_1 | Descriptor: | (2~{S})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-19 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of Bacterail Phosphotriesterase variant with high catalytic activity towards organophosphate nerve agents developed by use of structure-based design and molecular evolution To Be Published
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6GBL
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![BU of 6gbl by Molmil](/molmil-images/mine/6gbl) | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ... | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | Deposit date: | 2018-04-15 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires. Mol. Cell, 72, 2018
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4DCQ
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![BU of 4dcq by Molmil](/molmil-images/mine/4dcq) | Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form) | Descriptor: | 1,2-ETHANEDIOL, 3B5H10 FAB Heavy Chain, 3B5H10 FAB Light Chain | Authors: | Peters-Libeu, C.A, Tran, T, Finkbeiner, S, Weisgraber, K. | Deposit date: | 2012-01-18 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure. J.Mol.Biol., 421, 2012
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