4HK6
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4HK7
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![BU of 4hk7 by Molmil](/molmil-images/mine/4hk7) | Crystal structure of Cordyceps militaris IDCase in complex with uracil | Descriptor: | URACIL, Uracil-5-carboxylate decarboxylase, ZINC ION | Authors: | Xu, S, Zhu, J, Ding, J. | Deposit date: | 2012-10-15 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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4HK5
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![BU of 4hk5 by Molmil](/molmil-images/mine/4hk5) | Crystal structure of Cordyceps militaris IDCase in apo form | Descriptor: | Uracil-5-carboxylate decarboxylase, ZINC ION | Authors: | Xu, S, Zhu, J, Ding, J. | Deposit date: | 2012-10-15 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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2HKA
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![BU of 2hka by Molmil](/molmil-images/mine/2hka) | Crystal structure of bovine NPC2 and cholesterol sulfate complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, ... | Authors: | Xu, S, Gu, L, Benoff, B, Stock, A.M. | Deposit date: | 2006-07-03 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Basis of Sterol Binding by NPC2, a Lysosomal Protein Deficient in Niemann-Pick Type C2 Disease J.Biol.Chem., 282, 2007
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4X9Z
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![BU of 4x9z by Molmil](/molmil-images/mine/4x9z) | Dimeric conotoxin alphaD-GeXXA | Descriptor: | alphaD-conotoxin GeXXA from the venom of Conus generalis | Authors: | Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C. | Deposit date: | 2014-12-12 | Release date: | 2015-12-02 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors Sci Rep, 5, 2015
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1M8T
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![BU of 1m8t by Molmil](/molmil-images/mine/1m8t) | Structure of an acidic Phospholipase A2 from the venom of Ophiophagus hannah at 2.1 resolution from a hemihedrally twinned crystal form | Descriptor: | CALCIUM ION, HEXANE-1,6-DIOL, Phospholipase a2 | Authors: | Xu, S, Gu, L, Wang, Q, Shu, Y, Lin, Z. | Deposit date: | 2002-07-26 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a king cobra phospholipase A2 determined from a hemihedrally twinned crystal. Acta Crystallogr.,Sect.D, 59, 2003
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6V3R
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![BU of 6v3r by Molmil](/molmil-images/mine/6v3r) | Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2019-11-26 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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4RRY
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![BU of 4rry by Molmil](/molmil-images/mine/4rry) | Crystal Structure of Apo Murine H90W Cyclooxygenase-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.429 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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4RUT
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![BU of 4rut by Molmil](/molmil-images/mine/4rut) | crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid | Descriptor: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. | Deposit date: | 2014-11-21 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase. J.Biol.Chem., 290, 2015
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4RRX
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![BU of 4rrx by Molmil](/molmil-images/mine/4rrx) | Crystal Structure of Apo Murine V89W Cyclooxygenase-2 Complexed with Lumiracoxib | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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6UT9
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![BU of 6ut9 by Molmil](/molmil-images/mine/6ut9) | Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 | Descriptor: | Outer capsid protein VP4 | Authors: | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-10-29 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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4RRW
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![BU of 4rrw by Molmil](/molmil-images/mine/4rrw) | Crystal Structure of Apo Murine Cyclooxygenase-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.569 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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4RS0
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![BU of 4rs0 by Molmil](/molmil-images/mine/4rs0) | Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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4RRZ
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![BU of 4rrz by Molmil](/molmil-images/mine/4rrz) | Crystal Structure of Apo Murine H90W Cyclooxygenase-2 Complexed with Lumiracoxib | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.569 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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6VKX
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![BU of 6vkx by Molmil](/molmil-images/mine/6vkx) | Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851 | Descriptor: | DI(HYDROXYETHYL)ETHER, Outer capsid protein VP4, TETRAETHYLENE GLYCOL | Authors: | Xu, S, McGinnis, K.R, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-01-22 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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4Z0L
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![BU of 4z0l by Molmil](/molmil-images/mine/4z0l) | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | Deposit date: | 2015-03-26 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. Chemmedchem, 11, 2016
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7JHZ
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![BU of 7jhz by Molmil](/molmil-images/mine/7jhz) | Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851 in complex with LNDFH I | Descriptor: | GLYCEROL, Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ... | Authors: | Xu, S, Stuckert, M.R, McGinnis, K.R, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-07-21 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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8ET0
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![BU of 8et0 by Molmil](/molmil-images/mine/8et0) | Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | Authors: | Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J. | Deposit date: | 2022-10-15 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9 To Be Published
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7KHU
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![BU of 7khu by Molmil](/molmil-images/mine/7khu) | Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 in complex with LNDFH I | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-10-22 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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7KI5
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![BU of 7ki5 by Molmil](/molmil-images/mine/7ki5) | Crystal structure of P[6] rotavirus vp8* in complex with LNT | Descriptor: | Capsid protein, GLYCEROL, TRIETHYLENE GLYCOL, ... | Authors: | Xu, S, Kennedy, M.A. | Deposit date: | 2020-10-23 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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6NIW
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![BU of 6niw by Molmil](/molmil-images/mine/6niw) | Crystal structure of P[6] rotavirus | Descriptor: | DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein | Authors: | Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-01-01 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens. Plos Pathog., 16, 2020
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6OAI
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![BU of 6oai by Molmil](/molmil-images/mine/6oai) | Crystal structure of P[6] rotavirus vp8* complexed with LNFPI | Descriptor: | Protease-sensitive outer capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Xu, S, Liu, Y, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-03-16 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens. Plos Pathog., 16, 2020
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4LAK
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![BU of 4lak by Molmil](/molmil-images/mine/4lak) | Crystal structure of Cordyceps militaris IDCase D323N mutant in apo form | Descriptor: | Uracil-5-carboxylate decarboxylase, ZINC ION | Authors: | Xu, S, Li, W, Zhu, J, Wang, R, Li, Z, Xu, G.L, Ding, J. | Deposit date: | 2013-06-20 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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4HJW
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![BU of 4hjw by Molmil](/molmil-images/mine/4hjw) | Crystal structure of Metarhizium anisopliae IDCase in apo form | Descriptor: | Uracil-5-carboxylate decarboxylase, ZINC ION | Authors: | Xu, S, Zhu, J, Ding, J. | Deposit date: | 2012-10-14 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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1M8R
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![BU of 1m8r by Molmil](/molmil-images/mine/1m8r) | Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4) | Descriptor: | 1,4-BUTANEDIOL, CADMIUM ION, phospholipase A2 | Authors: | Xu, S, Gu, L, Zhou, Y, Lin, Z. | Deposit date: | 2002-07-25 | Release date: | 2003-02-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio Biochem.Biophys.Res.Commun., 300, 2003
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