2V7A
 
 | | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | | Descriptor: | MAGNESIUM ION, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | | Authors: | Modugno, M, Casale, E, Soncini, C, Rosettani, P, Colombo, R, Lupi, R, Rusconi, L, Fancelli, D, Carpinelli, P, Cameron, A.D, Isacchi, A, Moll, J. | | Deposit date: | 2007-07-27 | | Release date: | 2007-09-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358.
Cancer Res., 67, 2007
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2BMC
 | | Aurora-2 T287D T288D complexed with PHA-680632 | | Descriptor: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | | Authors: | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | | Deposit date: | 2005-03-11 | | Release date: | 2005-03-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48, 2005
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4GVS
 | | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with N5-formyl-tetrahydromethanopterin | | Descriptor: | 1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, Methenyltetrahydromethanopterin cyclohydrolase | | Authors: | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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4GVR
 | | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase | | Descriptor: | Methenyltetrahydromethanopterin cyclohydrolase | | Authors: | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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4GVQ
 | | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with tetrahydromethanpterin | | Descriptor: | 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol, Methenyltetrahydromethanopterin cyclohydrolase | | Authors: | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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2X9E
 | | HUMAN MPS1 IN COMPLEX WITH NMS-P715 | | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | | Authors: | Colombo, R, Caldarelli, M, Mennecozzi, M, Giorgini, M.L, Sola, F, Cappella, P, Perrera, C, DePaolini, S.R, Rusconi, L, Cucchi, U, Avanzi, N, Bertrand, J.A, Bossi, R.T, Pesenti, E, Galvani, A, Isacchi, A, Colotta, F, Donati, D, Moll, J. | | Deposit date: | 2010-03-17 | | Release date: | 2010-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase.
Cancer Res., 70, 2010
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4OMF
 | | The F420-reducing [NiFe]-hydrogenase complex from Methanothermobacter marburgensis, the first X-ray structure of a group 3 family member | | Descriptor: | CHLORIDE ION, F420-reducing hydrogenase, subunit alpha, ... | | Authors: | Vitt, S, Ma, K, Warkentin, E, Moll, J, Pierik, A, Shima, S, Ermler, U. | | Deposit date: | 2014-01-27 | | Release date: | 2014-06-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The F420-Reducing [NiFe]-Hydrogenase Complex from Methanothermobacter marburgensis, the First X-ray Structure of a Group 3 Family Member.
J.Mol.Biol., 426, 2014
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2XRU
 | | AURORA-A T288E COMPLEXED WITH PHA-828300 | | Descriptor: | 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Bindi, S, Fancelli, D, Alli, C, Berta, D, Bertrand, J.A, Cameron, A.D, Cappella, P, Carpinelli, P, Cervi, G, Croci, W, D'Anello, M, Forte, B, LauraGiorgini, M, Marsiglio, A, Moll, J, Pesenti, E, Pittala, V, Pulici, M, Riccardi-Sirtori, F, Roletto, F, Soncini, C, Storici, P, Varasi, M, Volpi, D, Zugnoni, P, Vianello, P. | | Deposit date: | 2010-09-22 | | Release date: | 2010-09-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
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3IQZ
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin | | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ... | | Authors: | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | Deposit date: | 2009-08-21 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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3IQE
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin and coenzyme F420 | | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, COENZYME F420, ... | | Authors: | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | Deposit date: | 2009-08-20 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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3IQF
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methenyl-tetrahydromethanopterin | | Descriptor: | 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ... | | Authors: | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | Deposit date: | 2009-08-20 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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2BY4
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT. | | Descriptor: | (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Jensen, A.L, Moller, J.V, Soehoel, H, Denmeade, S.R, Isaacs, J.T, Olsen, C.E, Christensen, S.B, Nissen, P. | | Deposit date: | 2005-07-28 | | Release date: | 2006-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Natural Products as Starting Materials for Development of Second-Generation Serca Inhibitors Targeted Towards Prostate Cancer Cells
Bioorg.Med.Chem., 14, 2006
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6YO1
 | | Crystal structure of ribonuclease A solved by vanadium SAD phasing | | Descriptor: | Ribonuclease pancreatic, URIDINE-2',3'-VANADATE | | Authors: | El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-11-04 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental phasing with vanadium and application to nucleotide-binding membrane proteins.
Iucrj, 7, 2020
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6YAA
 | | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | | Descriptor: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | | Authors: | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | | Deposit date: | 2020-03-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
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6YSO
 | | Crystal structure of the (SR) Ca2+-ATPase solved by vanadium SAD phasing | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | Authors: | El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A. | | Deposit date: | 2020-04-22 | | Release date: | 2020-11-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Experimental phasing with vanadium and application to nucleotide-binding membrane proteins.
Iucrj, 7, 2020
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2YFY
 | | SERCA in the HnE2 State Complexed With Debutanoyl Thapsigargin | | Descriptor: | DEBUTANOYL THAPSIGARGIN, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Sonntag, Y, Musgaard, M, Olesen, C, Schiott, B, Moller, J.V, Nissen, P, Thogersen, L. | | Deposit date: | 2011-04-11 | | Release date: | 2011-06-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mutual Adaptation of a Membrane Protein and its Lipid Bilayer During Conformational Changes.
Nat.Commun., 2, 2011
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1T5S
 | | Structure of the (SR)Ca2+-ATPase Ca2-E1-AMPPCP form | | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Sorensen, T.L.-M, Moller, J.V, Nissen, P. | | Deposit date: | 2004-05-05 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Phosphoryl transfer and calcium ion occlusion in the calcium pump.
Science, 304, 2004
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1T5T
 | | Structure of the (SR)Ca2+-ATPase Ca2-E1-ADP:AlF4- form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Sorensen, T.L.-M, Moller, J.V, Nissen, P. | | Deposit date: | 2004-05-05 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Phosphoryl transfer and calcium ion occlusion in the calcium pump.
Science, 304, 2004
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1XP5
 | | Structure Of The (Sr)Ca2+-ATPase E2-AlF4- Form | | Descriptor: | MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | | Authors: | Olesen, C, Sorensen, T.L.S, Nielsen, R.C, Moller, J.V, Nissen, P. | | Deposit date: | 2004-10-08 | | Release date: | 2005-01-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Dephosphorylation of the Calcium Pump Coupled to Counterion Occlusion
Science, 306, 2004
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6RB2
 | | Structure of the (SR)Ca2+-ATPase mutant E340A in the Ca2-E1-CaAMPPCP form | | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | Authors: | Clausen, J.D, Montigny, C, Lenoir, G, Arnou, B, Jaxel, C, Moller, J.V, Nissen, P, Andersen, J.P, Le Maire, M, Bublitz, M. | | Deposit date: | 2019-04-09 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.20001125 Å) | | Cite: | The SERCA residue Glu340 mediates interdomain communication that guides Ca 2+ transport.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2C88
 | | Crystal Structure Of (SR) Calcium-ATPase E2(Tg):AMPPCP form | | Descriptor: | MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | | Authors: | Jensen, A.M, Sorensen, T.L, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2005-12-02 | | Release date: | 2006-06-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump
Embo J., 25, 2006
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2C8L
 | | Crystal Structure of (SR) Calcium-ATPase E2(Tg) form | | Descriptor: | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ... | | Authors: | Jensen, A.M, Sorensen, T.L, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2005-12-06 | | Release date: | 2006-06-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump
Embo J., 25, 2006
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2C8K
 | | Crystal Structure of (SR) Calcium-ATPase E2(Tg) with partially occupied AMPPCP site | | Descriptor: | ARCOPLASMIC/ENDOPLASMIC RETICULUM CALCIUM ATPASE 1, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | Authors: | Jensen, A.M, Sorensen, T.L, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2005-12-06 | | Release date: | 2006-06-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump
Embo J., 25, 2006
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2C9M
 | | Structure of (SR) Calcium-ATPase in the Ca2E1 state solved in a P1 crystal form. | | Descriptor: | CALCIUM ION, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Lund Jensen, A.-M, Sorensen, T.L.-M, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2005-12-13 | | Release date: | 2006-12-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump
Embo J., 25, 2006
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6HEF
 | | Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2018-08-20 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.538 Å) | | Cite: | Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
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