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4BWI
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BU of 4bwi by Molmil
Structure of the phytochrome Cph2 from Synechocystis sp. PCC6803
Descriptor: FORMIC ACID, GLUTAMIC ACID, GLYCEROL, ...
Authors:Anders, K, Angerer, V, Widany, G.D, Mroginski, M.A, von Stetten, D, Essen, L.-O.
Deposit date:2013-07-03
Release date:2013-10-30
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Cyanobacterial Phytochrome 2 Photosensor Implies a Tryptophan Switch for Phytochrome Signaling.
J.Biol.Chem., 288, 2013
5A8J
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BU of 5a8j by Molmil
Crystal structure of the ArnB paralog VWA2 from Sulfolobus acidocaldarius
Descriptor: CHLORIDE ION, CITRIC ACID, GLYCEROL, ...
Authors:Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V.
Deposit date:2015-07-16
Release date:2016-06-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility
To be Published
5A8I
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BU of 5a8i by Molmil
Crystal structure of the FHA domain of ArnA from Sulfolobus acidocaldarius
Descriptor: ARNA, GLYCEROL, SULFATE ION
Authors:Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V.
Deposit date:2015-07-16
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility
To be Published
6T8V
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BU of 6t8v by Molmil
Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole
Descriptor: 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
Authors:Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
8B9V
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BU of 8b9v by Molmil
Crystal structure of Lu AF82422 in complex with alpha-synuclein 110-120
Descriptor: Alpha-synuclein 110-120, Lu AF82422 Fab heavy chain, Lu AF82422 Fab light chain, ...
Authors:Bjerregaard-Andersen, K, Carr, K, Krogh, B.O, Kallunki, P, Tagmose, L, David, L.
Deposit date:2022-10-10
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Lu AF82422 in complex with alpha-synuclein 110-120
To Be Published
5JJ2
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BU of 5jj2 by Molmil
Crystal structure of the central domain of human AKAP18 gamma/delta in complex with malonate
Descriptor: A-kinase anchor protein 7 isoform gamma, MALONATE ION
Authors:Bjerregaard-Andersen, K, Ostensen, E, Scott, J.D, Tasken, K, Morth, J.P.
Deposit date:2016-04-22
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Malonate in the nucleotide-binding site traps human AKAP18 gamma / delta in a novel conformational state.
Acta Crystallogr.,Sect.F, 72, 2016
7PB6
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BU of 7pb6 by Molmil
Structure of LPMO domain of colonization factor GbpA from Vibrio cholerae in the presence of potassium
Descriptor: COPPER (II) ION, GlcNAc-binding protein A, POTASSIUM ION, ...
Authors:Bjerregaard-Andersen, K, Krengel, U.
Deposit date:2021-07-31
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of LPMO domain of colonization factor GbpA from Vibrio cholerae in the presence of potassium
To Be Published
7PB7
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BU of 7pb7 by Molmil
Structure of LPMO domain of colonization factor GbpA from Vibrio cholerae in the presence of calcium
Descriptor: CALCIUM ION, COPPER (II) ION, GlcNAc-binding protein A
Authors:Bjerregaard-Andersen, K, Krengel, U.
Deposit date:2021-07-31
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of LPMO domain of colonization factor GbpA from Vibrio cholerae in the presence of calcium
To Be Published
5NMP
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BU of 5nmp by Molmil
Isatin hydrolase A (IHA) from Ralstonia solanacearum
Descriptor: Isatin hydrolase, MANGANESE (II) ION, SUCCINIC ACID
Authors:Sommer, T, Bjerregaard-Andersen, K, Morth, J.P.
Deposit date:2017-04-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A fundamental catalytic difference between zinc and manganese dependent enzymes revealed in a bacterial isatin hydrolase.
Sci Rep, 8, 2018
5NNB
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BU of 5nnb by Molmil
Isatin hydrolase A (IHA) from Labrenzia aggregata with isatinate bound
Descriptor: Isatinic acid, MANGANESE (II) ION, isatin hydrolase A
Authors:Sommer, T, Bjerregaard-Andersen, K, Morth, J.P.
Deposit date:2017-04-08
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A fundamental catalytic difference between zinc and manganese dependent enzymes revealed in a bacterial isatin hydrolase.
Sci Rep, 8, 2018
5NNA
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BU of 5nna by Molmil
Isatin hydrolase A (IHA) from Labrenzia aggregata bound to benzyl benzoate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZOIC ACID PHENYLMETHYLESTER, DI(HYDROXYETHYL)ETHER, ...
Authors:Sommer, T, Bjerregaard-Andersen, K, Morth, J.P.
Deposit date:2017-04-08
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A fundamental catalytic difference between zinc and manganese dependent enzymes revealed in a bacterial isatin hydrolase.
Sci Rep, 8, 2018
6QMR
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BU of 6qmr by Molmil
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Descriptor: 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D
Authors:Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M.
Deposit date:2019-02-08
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
6S2I
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BU of 6s2i by Molmil
Anti-tumor antibody 14F7-derived scFv in complex with NeuGc Gm3
Descriptor: N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, scFv C1
Authors:Bjerregaard-Andersen, K, Heggelund, J.E, Krengel, U.
Deposit date:2019-06-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Key role of a structural water molecule for the specificity of 14F7-An antitumor antibody targeting the NeuGc GM3 ganglioside.
Glycobiology, 31, 2021
5JHO
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BU of 5jho by Molmil
Crystal structure of the regulatory domain of the sodium driven chloride bicarbonate exchanger.
Descriptor: Electroneutral sodium bicarbonate exchanger 1
Authors:Alvadia, C, Sommer, T, Bjerregaard-Andersen, K, Morth, J.P.
Deposit date:2016-04-21
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:The crystal structure of the regulatory domain of the human sodium-driven chloride/bicarbonate exchanger.
Sci Rep, 7, 2017
6QMT
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BU of 6qmt by Molmil
Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid
Descriptor: 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Complement factor D
Authors:Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M.
Deposit date:2019-02-08
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
6RAV
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BU of 6rav by Molmil
Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
Descriptor: 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
Authors:Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
Deposit date:2019-04-08
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6FFJ
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BU of 6ffj by Molmil
Anti-tumor antibody 14F7-derived single chain fragment variable (scFv)
Descriptor: 14F7-derived scFv
Authors:Bjerregaard-Andersen, K, Heggelund, J.E, Krengel, U.
Deposit date:2018-01-08
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of an L chain optimised 14F7 anti-ganglioside Fv suggests a unique tumour-specificity through an unusual H-chain CDR3 architecture.
Sci Rep, 8, 2018
6T8W
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BU of 6t8w by Molmil
Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
Descriptor: 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ...
Authors:Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
6T8U
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BU of 6t8u by Molmil
Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine
Descriptor: 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION
Authors:Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
1BXN
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BU of 1bxn by Molmil
THE CRYSTAL STRUCTURE OF RUBISCO FROM ALCALIGENES EUTROPHUS TO 2.7 ANGSTROMS.
Descriptor: PHOSPHATE ION, PROTEIN (RIBULOSE BISPHOSPHATE CARBOXYLASE LARGE CHAIN), PROTEIN (RIBULOSE BISPHOSPHATE CARBOXYLASE SMALL CHAIN)
Authors:Hansen, S, Vollan, V.B, Hough, E, Andersen, K.
Deposit date:1998-10-06
Release date:1999-10-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of rubisco from Alcaligenes eutrophus reveals a novel central eight-stranded beta-barrel formed by beta-strands from four subunits.
J.Mol.Biol., 288, 1999
1G1O
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BU of 1g1o by Molmil
CRYSTAL STRUCTURE OF THE HIGHLY AMYLOIDOGENIC TRANSTHYRETIN MUTANT TTR G53S/E54D/L55S
Descriptor: TRANSTHYRETIN
Authors:Eneqvist, T, Andersson, K, Olofsson, A, Lundgren, E, Sauer-Eriksson, A.E.
Deposit date:2000-10-13
Release date:2001-10-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The beta-slip: a novel concept in transthyretin amyloidosis.
Mol.Cell, 6, 2000
6QSX
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BU of 6qsx by Molmil
Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol.
Descriptor: Complement factor B, SULFATE ION, ZINC ION, ...
Authors:Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
Deposit date:2019-02-22
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QSW
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BU of 6qsw by Molmil
Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.
Descriptor: Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine
Authors:Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
Deposit date:2019-02-22
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
4J0N
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BU of 4j0n by Molmil
Crystal structure of a manganese dependent isatin hydrolase
Descriptor: CALCIUM ION, Isatin hydrolase B, MANGANESE (II) ION, ...
Authors:Bjerregaard-Andersen, K, Sommer, T, Jensen, J.K, Jochimsen, B, Etzerodt, M, Morth, J.P.
Deposit date:2013-01-31
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A proton wire and water channel revealed in the crystal structure of isatin hydrolase.
J.Biol.Chem., 289, 2014
4M8D
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BU of 4m8d by Molmil
Crystal structure of an isatin hydrolase bound to product analogue thioisatinate
Descriptor: CALCIUM ION, MANGANESE (II) ION, Putative uncharacterized protein, ...
Authors:Bjerregaard-Andersen, K, Sommer, T, Jensen, J.K, Jochimsen, B, Etzerodt, M, Morth, J.P.
Deposit date:2013-08-13
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A proton wire and water channel revealed in the crystal structure of isatin hydrolase.
J.Biol.Chem., 289, 2014

 

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