1XJ9
 
 | | Crystal structure of a partly self-complementary peptide nucleic acid (PNA) oligomer showing a duplex-triplex network | | Descriptor: | peptide nucleic acid, (H-P(*GPN*TPN*APN*GPN*APN*TPN*CPN*APN*CPN*TPN)-LYS-NH2) | | Authors: | Petersson, B, Nielsen, B.B, Rasmussen, H, Larsen, I.K, Gajhede, M, Nielsen, P.E, Kastrup, J.S. | | Deposit date: | 2004-09-23 | | Release date: | 2005-02-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of a Partly Self-Complementary Peptide Nucleic Acid (PNA) Oligomer Showing a Duplex-Triplex Network
J.Am.Chem.Soc., 127, 2005
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5D4F
 | | Crystal structure of C-As lyase with Fe(III) | | Descriptor: | CHLORIDE ION, FE (III) ION, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | | Deposit date: | 2015-08-07 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structure of C-As lyase with mercaptoethonal
To Be Published
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4RSR
 | | ArsM arsenic(III) S-adenosylmethionine methyltransferase with trivalent phenyl arsencial derivative-Roxarsone | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-arsanyl-2-nitrophenol, Arsenic methyltransferase, ... | | Authors: | Packianathan, C, Marapakala, K, Ajees, A.A, Kandavelu, P, Rosen, B.P. | | Deposit date: | 2014-11-10 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A disulfide-bond cascade mechanism for arsenic(III) S-adenosylmethionine methyltransferase.
Acta Crystallogr.,Sect.D, 71, 2015
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3U87
 | | Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue | | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G, Olsen, B. | | Deposit date: | 2011-10-16 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias.
Acta Crystallogr.,Sect.D, 68, 2012
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4FSD
 | | ArsM arsenic(III) S-adenosylmethionine methyltransferase with As(III) | | Descriptor: | ARSENIC, Arsenic methyltransferase, CALCIUM ION, ... | | Authors: | Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P. | | Deposit date: | 2012-06-27 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation.
Biochemistry, 51, 2012
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4FS8
 | | The structure of an As(III) S-adenosylmethionine methyltransferase: insights into the mechanism of arsenic biotransformation | | Descriptor: | Arsenic methyltransferase, CALCIUM ION | | Authors: | Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P. | | Deposit date: | 2012-06-27 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation.
Biochemistry, 51, 2012
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3RPS
 | | Structure of human CK2alpha in complex with the ATP-competitive inhibitor 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol | | Descriptor: | 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Bischoff, N, Raaf, J, Olsen, B, Bretner, M, Issinger, O.-G, Niefind, K. | | Deposit date: | 2011-04-27 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enzymatic activity with an incomplete catalytic spine - insights from a comparative structural analysis of human CK2alpha and its paralogous isoform CK2alpha'
Mol.Cell.Biochem., 356, 2011
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4FR0
 | | ArsM arsenic(III) S-adenosylmethionine methyltransferase with SAM | | Descriptor: | Arsenic methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P. | | Deposit date: | 2012-06-26 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation.
Biochemistry, 51, 2012
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5BS0
 | | MAGE-A3 Reactive TCR in complex with Titin Epitope in HLA-A1 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, Lomax, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | | Deposit date: | 2015-06-01 | | Release date: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
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7Y45
 | | Cryo-EM structure of the Na+,K+-ATPase in the E2.2K+ state | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-06-14 | | Release date: | 2022-07-13 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-electron microscopy of Na + ,K + -ATPase reveals how the extracellular gate locks in the E2·2K + state.
Febs Lett., 596, 2022
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7Y46
 | | Cryo-EM structure of the Na+,K+-ATPase in the E2.2K+ state after addition of ATP | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-06-14 | | Release date: | 2022-07-13 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Cryo-electron microscopy of Na + ,K + -ATPase reveals how the extracellular gate locks in the E2·2K + state.
Febs Lett., 596, 2022
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1XSM
 | | PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE FROM MOUSE | | Descriptor: | FE (III) ION, RIBONUCLEOTIDE REDUCTASE R2 | | Authors: | Kauppi, B, Nielsen, B.N, Ramaswamy, S, Kjoller-Larsen, I, Thelander, M, Thelander, L, Eklund, H. | | Deposit date: | 1996-07-03 | | Release date: | 1997-01-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The three-dimensional structure of mammalian ribonucleotide reductase protein R2 reveals a more-accessible iron-radical site than Escherichia coli R2.
J.Mol.Biol., 262, 1996
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5BRZ
 | | MAGE-A3 reactive TCR in complex with MAGE-A3 in HLA-A1 | | Descriptor: | Beta-2-microglobulin, GLU-VAL-ASP-PRO-ILE-GLY-HIS-LEU-TYR, HLA class I histocompatibility antigen, ... | | Authors: | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donnellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, LomaX, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | | Deposit date: | 2015-06-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
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7WYU
 | | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WYY
 | | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate with istaroxime | | Descriptor: | (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WYX
 | | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP with istaroxime | | Descriptor: | (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WYW
 | | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WYV
 | | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP in the presence of 40 mM Mg2+ | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WYT
 | | Crystal structures of Na+,K+-ATPase in complex with ouabain | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WYZ
 | | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP with ouabain | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WYS
 | | Crystal structures of Na+,K+-ATPase in complex with istaroxime | | Descriptor: | (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WZ0
 | | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate with ouabain | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4BYG
 | | ATPase crystal structure | | Descriptor: | COPPER EFFLUX ATPASE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Mattle, D, Drachmann, N.D, Liu, X.Y, Pedersen, B.P, Morth, J.P, Wang, J, Gourdon, P, Nissen, P. | | Deposit date: | 2013-07-19 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Dephosphorylation of Pib-Type Cu(I)-Atpases as Studied by Metallofluoride Complexes
To be Published
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5C68
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4BEV
 | | ATPase crystal structure with bound phosphate analogue | | Descriptor: | COPPER EFFLUX ATPASE, MAGNESIUM ION, TRIFLUOROMAGNESATE | | Authors: | Mattle, D, Drachmann, N.D, Liu, X.Y, Gourdon, P, Pedersen, B.P, Morth, P, Wang, J, Nissen, P. | | Deposit date: | 2013-03-12 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.583 Å) | | Cite: | ATPase Crystal Structure with Bound Phosphate Analogue
To be Published
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