Author results

1YB5
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CRYSTAL STRUCTURE OF HUMAN ZETA-CRYSTALLIN WITH BOUND NADP
Descriptor:Quinone oxidoreductase, ACETATE ION, CHLORIDE ION, ...
Authors:Debreczeni, J., Berridge, G., Kavanagh, K., Colbrook, S., Bray, J., Williams, L., Oppermann, U., Sundstrom, M., Arrowsmith, C., Edwards, A., Gileadi, O., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2004-12-20
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of human Zeta-Crystallin at 1.85A
To be Published
2C46
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CRYSTAL STRUCTURE OF THE HUMAN RNA GUANYLYLTRANSFERASE AND 5'- PHOSPHATASE
Descriptor:MRNA CAPPING ENZYME
Authors:Debreczeni, J., Johansson, C., Longman, E., Gileadi, O., SavitskySmee, P., Smee, C., Bunkoczi, G., Ugochukwu, E., von Delft, F., Sundstrom, M., Weigelt, J., Arrowsmith, C., Edwards, A., Knapp, S.
Deposit date:2005-10-15
Release date:2005-11-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Human RNA Guanylyltransferase and 5'-Phosphatase
To be Published
4CDC
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HUMAN DPP1 IN COMPLEX WITH (2S)-2-AMINO-N-((1S)-1-CYANO-2-(4- PHENYLPHENYL)ETHYL)BUTANAMIDE
Descriptor:DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ...
Authors:Debreczeni, J., Edman, K., Furber, M., Tiden, A., Gardiner, P., Mete, T., Ford, R., Millichip, I., Stein, L., Mather, A., Kinchin, E., Luckhurst, C., Cage, P., Sanghanee, H., Breed, J., Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDD
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HUMAN DPP1 IN COMPLEX WITH (2S)-N-((1S)-1-CYANO-2-(4-(4-CYANOPHENYL) PHENYL)ETHYL)PIPERIDINE-2-CARBOXAMIDE
Descriptor:DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ...
Authors:Debreczeni, J., Edman, K., Furber, M., Tiden, A., Gardiner, P., Mete, T., Ford, R., Millichip, I., Stein, L., Mather, A., Kinchin, E., Luckhurst, C., Cage, P., Sanghanee, H., Breed, J., Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDE
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HUMAN DPP1 IN COMPLEX WITH 4-AMINO-N-((1S)-1-CYANO-2-(4-(4- CYANOPHENYL)PHENYL)ETHYL)TETRAHYDROPYRAN-4-CARBOXAMIDE
Descriptor:DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ...
Authors:Debreczeni, J., Edman, K., Furber, M., Tiden, A., Gardiner, P., Mete, T., Ford, R., Millichip, I., Stein, L., Mather, A., Kinchin, E., Luckhurst, C., Cage, P., Sanghanee, H., Breed, J., Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDF
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HUMAN DPP1 IN COMPLEX WITH (2S,4S)-N-((1S)-1-CYANO-2-(4-(4- CYANOPHENYL)PHENYL)ETHYL)-4-HYDROXY-PIPERIDINE-2-CARBOXAMIDE
Descriptor:DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ...
Authors:Debreczeni, J., Edman, K., Furber, M., Tiden, A., Gardiner, P., Mete, T., Ford, R., Millichip, I., Stein, L., Mather, A., Kinchin, E., Luckhurst, C., Cage, P., Sanghanee, H., Breed, J., Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
5O49
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HUMAN FGF IN COMPLEX WITH A COVALENT INHIBITOR
Descriptor:Fibroblast growth factor receptor 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate, SULFATE ION
Authors:Debreczeni, J., Breed, J., Mukherjee, H., Aquila, B., Kaiser, C., Tentarelli, S., Whitty, A., Grimster, N.
Deposit date:2017-05-26
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Org. Biomol. Chem., 15, 2017
5O4A
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HUMAN FGF IN COMPLEX WITH A COVALENT INHIBITOR
Descriptor:Fibroblast growth factor receptor 1, SULFATE ION, GLYCEROL, ...
Authors:Debreczeni, J., Breed, J., Mukherjee, H., Aquila, B., Kaiser, C., Tentarelli, S., Whitty, A., Grimster, N.
Deposit date:2017-05-26
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Org. Biomol. Chem., 15, 2017
2C47
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STRUCTURE OF CASEIN KINASE 1 GAMMA 2
Descriptor:CASEIN KINASE 1 GAMMA 2 ISOFORM, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, MAGNESIUM ION
Authors:Bunkoczi, G., Rellos, P., Das, S., Ugochukwu, E., Fedorov, O., Sobott, F., Eswaran, J., Amos, A., Ball, L., von Delft, F., Bullock, A., Debreczeni, J., Turnbull, A., Sundstrom, M., Weigelt, J., Arrowsmith, C., Edwards, A., Knapp, S.
Deposit date:2005-10-16
Release date:2005-11-07
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of Casein Kinase 1 Gamma 2
To be Published
2F5Y
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CRYSTAL STRUCTURE OF THE PDZ DOMAIN FROM HUMAN RGS-3
Descriptor:regulator of G-protein signalling 3 isoform 1, SULFATE ION
Authors:Ugochukwu, E., Berridge, G., Johansson, C., Smee, C., Savitsky, P., Burgess, N., Colebrook, S., Yang, X., Elkins, J., Doyle, D., Turnbull, A., Papagrigoriou, E., Debreczeni, J., Bunkoczi, G., Gorrec, F., von Delft, F., Arrowsmith, C., Sundstrom, M., Weigelt, J., Edwards, A., Structural Genomics Consortium (SGC)
Deposit date:2005-11-28
Release date:2005-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of the PDZ Domain from Human RGS-3
To be Published
2FE5
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THE CRYSTAL STRUCTURE OF THE SECOND PDZ DOMAIN OF HUMAN DLG3
Descriptor:Presynaptic protein SAP102, SULFATE ION, GLYCEROL
Authors:Ugochukwu, E., Phillips, C., Schoch, G., Berridge, G., Salah, E., Colebrook, S., Smee, C., Savitsky, P., Bray, J., Elkins, J., Doyle, D., Bunkoczi, G., Debreczeni, J., Turnbull, A., Gorrec, F., von Delft, F., Sundstrom, M., Arrowsmith, C., Weigelt, J., Edwards, A., Structural Genomics Consortium (SGC)
Deposit date:2005-12-15
Release date:2005-12-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Crystal Structure of the Second PDZ Domain of Human DLG3
To be Published
2GJS
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THE CRYSTAL STRUCTURE OF HUMAN RRAD IN COMPLEX WITH GDP
Descriptor:GTP-binding protein RAD, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Turnbull, A.P., Yang, X., Soundararajan, M., Schoch, G., Debreczeni, J., Elkins, J.M., Gileadi, C., Berridge, G., Pantic, N., Burgess, N., Smee, C.E.A., Bray, J., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2006-03-31
Release date:2006-04-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human RRAD in complex with GDP
To be Published
2O23
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THE STRUCTURE OF WILD-TYPE HUMAN HADH2 (17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 10) BOUND TO NAD+ AT 1.2 A
Descriptor:HADH2 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL
Authors:Kavanagh, K.L., Shafqat, N., Scholer, K., Debreczeni, J., Zschocke, J., von Delft, F., Weigelt, J., Arrowsmith, C., Sundstrom, M., Edwards, A., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-11-29
Release date:2006-12-12
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
To be Published
2OBY
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CRYSTAL STRUCTURE OF HUMAN P53 INDUCIBLE OXIDOREDUCTASE (TP53I3,PIG3)
Descriptor:Putative quinone oxidoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Porte, S., Valencia, E., Farres, J., Fita, I., Pike, A.C.W., Shafqat, N., Debreczeni, J., Johansson, C., Haroniti, A., Gileadi, O., Arrowsmith, C.H., Edwards, A., Weigelt, J., Sundstrom, M., von Delft, F., Oppermann, U., Pares, X.
Deposit date:2006-12-20
Release date:2007-01-30
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3)
To be Published
2OVJ
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THE CRYSTAL STRUCTURE OF THE HUMAN RAC GTPASE ACTIVATING PROTEIN 1 (RACGAP1) MGCRACGAP.
Descriptor:Rac GTPase-activating protein 1, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Authors:Shrestha, L., Papagrigoriou, E., Soundararajan, M., Elkins, J., Johansson, C., von Delft, F., Pike, A.C.W., Burgess, N., Turnbull, A., Debreczeni, J., Gorrec, F., Umeano, C., Edwards, A., Arrowsmith, C.H., Weigelt, J., Sundstrom, M., Doyle, D.A., Structural Genomics Consortium (SGC)
Deposit date:2007-02-14
Release date:2007-02-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
To be Published
2AR7
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CRYSTAL STRUCTURE OF HUMAN ADENYLATE KINASE 4, AK4
Descriptor:Adenylate kinase 4
Authors:Filippakopoulos, P., Turnbull, A.P., Fedorov, O., Weigelt, J., Bunkoczi, G., Ugochukwu, E., Debreczeni, J., Niesen, F., von Delft, F., Edwards, A., Arrowsmith, C., Sundstrom, M., Structural Genomics Consortium (SGC)
Deposit date:2005-08-19
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human adenylate kinase 4, AK4
To be Published
2BBW
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CRYSTAL STRUCTURE OF HUMAN ADENYLATE KINASE 4 (AK4) IN COMPLEX WITH DIGUANOSINE PENTAPHOSPHATE
Descriptor:adenylate kinase 4, AK4, DIGUANOSINE-PENTAPHOSPHATE
Authors:Filippakopoulos, P., Turnbull, A.P., Fedorov, O., Weigelt, J., Bunkoczi, G., Ugochukwu, E., Debreczeni, J., Niesen, F., von Delft, F., Edwards, A., Arrowsmith, C., Sundstrom, M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2005-10-17
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human adenylate kinase 4 (AK4) in complex with diguanosine pentaphosphate
To be Published
2FLS
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CRYSTAL STRUCTURE OF HUMAN GLUTAREDOXIN 2 COMPLEXED WITH GLUTATHIONE
Descriptor:Glutaredoxin-2, GLUTATHIONE
Authors:Johansson, C., Smee, C., Kavanagh, K.L., Debreczeni, J., von Delft, F., Gileadi, O., Arrowsmith, C., Weigelt, J., Edwards, A., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-01-06
Release date:2006-01-24
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Human Glutaredoxin 2 complexed with glutathione
To be Published
2FN4
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THE CRYSTAL STRUCTURE OF HUMAN RAS-RELATED PROTEIN, RRAS, IN THE GDP-BOUND STATE
Descriptor:Ras-related protein R-Ras, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Turnbull, A.P., Elkins, J.M., Gileadi, C., Burgess, N., Salah, E., Papagrigoriou, E., Debreczeni, J., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2006-01-10
Release date:2006-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published
2HW5
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THE CRYSTAL STRUCTURE OF HUMAN ENOYL-COENZYME A (COA) HYDRATASE SHORT CHAIN 1, ECHS1
Descriptor:Enoyl-CoA hydratase, MAGNESIUM ION, CROTONYL COENZYME A
Authors:Turnbull, A.P., Salah, E., Niesen, F., Debreczeni, J., Ugochukwu, E., Pike, A.C.W., Kavanagh, K., Gileadi, O., Gorrec, F., Umeano, C., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-07-31
Release date:2006-08-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1
To be Published
2I6L
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CRYSTAL STRUCTURE OF HUMAN MITOGEN ACTIVATED PROTEIN KINASE 6 (MAPK6)
Descriptor:Mitogen-activated protein kinase 6
Authors:Filippakopoulos, P., Turnbull, A.P., Savitsky, P., Fedorov, O., Berridge, G., Das, S., Elkins, J., Soundararajan, M., Yang, X.W., Doyle, D., Papagrigoriou, E., Pike, A.C.W., Bunkonczi, G., Ugochukwu, E., Debreczeni, J., von Delft, F., Edwards, A., Arrowsmith, C., Sundstrom, M., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2006-08-29
Release date:2006-09-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Human Mitogen Activated Protein Kinase 6
To be Published
2UZP
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CRYSTAL STRUCTURE OF THE C2 DOMAIN OF HUMAN PROTEIN KINASE C GAMMA.
Descriptor:PROTEIN KINASE C GAMMA TYPE, PYRIDOXAL-5'-PHOSPHATE, COBALT (II) ION, ...
Authors:Pike, A.C.W., Amos, A., Johansson, C., Sobott, F., Savitsky, P., Berridge, G., Fedorov, O., Umeano, C., Gorrec, F., Bunkoczi, G., Debreczeni, J., von Delft, F., Arrowsmith, C.H., Edwards, A., Weigelt, J., Sundstrom, M., Knapp, S.
Deposit date:2007-04-30
Release date:2007-05-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of C2 Domain of Protein Kinase C Gamma
To be Published
4GV1
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PKB ALPHA IN COMPLEX WITH AZD5363
Descriptor:RAC-alpha serine/threonine-protein kinase, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL
Authors:Addie, M., Ballard, P., Bird, G., Buttar, D., Currie, G., Davies, B., Debreczeni, J., Dry, H., Dudley, P., Greenwood, R., Hatter, G., Jestel, A., Johnson, P.D., Kettle, J.G., Lane, C., Lamont, G., Leach, A., Luke, R.W.A., Ogilvie, D., Page, K., Pass, M., Steinbacher, S., Steuber, H., Pearson, S., Ruston, L.
Deposit date:2012-08-30
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
1XWS
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CRYSTAL STRUCTURE OF THE HUMAN PIM1 KINASE DOMAIN
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Authors:Knapp, S., Debreczeni, J., Bullock, A., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Guo, K.
Deposit date:2004-11-02
Release date:2004-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human PIM1 kinase domain
To be Published
2BIK
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HUMAN PIM1 PHOSPHORYLATED ON SER261
Descriptor:PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CHLORIDE ION
Authors:Knapp, S., Debreczeni, J., Bullock, A., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Guo, K.
Deposit date:2005-01-22
Release date:2005-02-07
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Pim1 Phosphorylated on Ser261
To be Published
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