1D6O
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![BU of 1d6o by Molmil](/molmil-images/mine/1d6o) | NATIVE FKBP | Descriptor: | AMMONIUM ION, PROTEIN (FK506-BINDING PROTEIN), SULFATE ION | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-15 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1D7H
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![BU of 1d7h by Molmil](/molmil-images/mine/1d7h) | FKBP COMPLEXED WITH DMSO | Descriptor: | AMMONIUM ION, DIMETHYL SULFOXIDE, PROTEIN (FK506-BINDING PROTEIN), ... | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-18 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1D7J
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![BU of 1d7j by Molmil](/molmil-images/mine/1d7j) | FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE | Descriptor: | 4-HYDROXY-2-BUTANONE, AMMONIUM ION, PROTEIN (FK506-BINDING PROTEIN), ... | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-18 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1D7I
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![BU of 1d7i by Molmil](/molmil-images/mine/1d7i) | FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS) | Descriptor: | AMMONIUM ION, METHYL METHYLSULFINYLMETHYL SULFIDE, PROTEIN (FK506-BINDING PROTEIN), ... | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-18 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1E39
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![BU of 1e39 by Molmil](/molmil-images/mine/1e39) | Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT, FUMARIC ACID, ... | Authors: | Doherty, M.K, Pealing, S.L, Miles, C.S, Moysey, R, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2000-06-07 | Release date: | 2000-09-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of the Active Site Acid/Base Catalyst in a Bacterial Fumarate Reductase: A Kinetic and Crystallographic Study Biochemistry, 39, 2000
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1SP3
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![BU of 1sp3 by Molmil](/molmil-images/mine/1sp3) | Crystal structure of octaheme cytochrome c from Shewanella oneidensis | Descriptor: | HEME C, THIOCYANATE ION, cytochrome c, ... | Authors: | Mowat, C.G, Rothery, E, Miles, C.S, McIver, L, Doherty, M.K, Drewette, K, Taylor, P, Walkinshaw, M.D, Chapman, S.K, Reid, G.A. | Deposit date: | 2004-03-16 | Release date: | 2004-09-21 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Octaheme tetrathionate reductase is a respiratory enzyme with novel heme ligation. Nat.Struct.Mol.Biol., 11, 2004
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1CWO
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![BU of 1cwo by Molmil](/molmil-images/mine/1cwo) | HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN | Descriptor: | CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-06-05 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Conformational Differences of an Immunosuppressant Peptolide in a Single Crystal and in a Crystal Complex with Human Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWJ
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![BU of 1cwj by Molmil](/molmil-images/mine/1cwj) | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-25 | Release date: | 1998-08-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWH
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![BU of 1cwh by Molmil](/molmil-images/mine/1cwh) | HUMAN CYCLOPHILIN A COMPLEXED WITH 3-D-SER CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-07 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWK
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![BU of 1cwk by Molmil](/molmil-images/mine/1cwk) | HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D-(2-S-METHYL)SARCOSINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWF
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![BU of 1cwf by Molmil](/molmil-images/mine/1cwf) | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-04-30 | Release date: | 1998-07-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWM
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![BU of 1cwm by Molmil](/molmil-images/mine/1cwm) | HUMAN CYCLOPHILIN A COMPLEXED WITH 4 MEILE CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWI
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![BU of 1cwi by Molmil](/molmil-images/mine/1cwi) | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-(N-METHYL)-D-ALANINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-25 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWL
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![BU of 1cwl by Molmil](/molmil-images/mine/1cwl) | HUMAN CYCLOPHILIN A COMPLEXED WITH 4 4-HYDROXY-MELEU CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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3PMZ
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![BU of 3pmz by Molmil](/molmil-images/mine/3pmz) | Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine | Descriptor: | (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium, MAGNESIUM ION, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Yamauchi, J.G, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | Deposit date: | 2010-11-18 | Release date: | 2011-10-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies To be Published
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3PEO
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![BU of 3peo by Molmil](/molmil-images/mine/3peo) | Crystal structure of acetylcholine binding protein complexed with metocurine | Descriptor: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Yamauchi, G.J, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | Deposit date: | 2010-10-27 | Release date: | 2011-10-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The curare alkaloids: analyzing the poses of complexes with the acetylcholine binding protein in relation to structure and binding energetics To be Published
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1BCK
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![BU of 1bck by Molmil](/molmil-images/mine/1bck) | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-THR CYCLOSPORIN | Descriptor: | CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-04-30 | Release date: | 1998-09-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1S7Z
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![BU of 1s7z by Molmil](/molmil-images/mine/1s7z) | Structure of Ocr from Bacteriophage T7 | Descriptor: | CESIUM ION, Gene 0.3 protein | Authors: | Walkinshaw, M.D, Taylor, P, Sturrock, S.S, Atanasiu, C, Berg, T, Henderson, R.M, Edwardson, J.M, Dryden, D.T. | Deposit date: | 2004-01-30 | Release date: | 2004-02-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure of Ocr from Bacteriophage T7, a Protein that Mimics B-Form DNA Mol.Cell, 9, 2002
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1VYJ
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![BU of 1vyj by Molmil](/molmil-images/mine/1vyj) | Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN, SMALL PEPTIDE SAVLQKKITDYFHPKK | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.D. | Deposit date: | 2004-04-30 | Release date: | 2005-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design Proc.Natl.Acad.Sci.USA, 102, 2005
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3POY
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![BU of 3poy by Molmil](/molmil-images/mine/3poy) | Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6 | Descriptor: | Neurexin-1-alpha, beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Miller, M.T, Mileni, M, Comoletti, D, Stevens, R.C, Harel, M, Taylor, P. | Deposit date: | 2010-11-23 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function. Structure, 19, 2011
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1H0P
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![BU of 1h0p by Molmil](/molmil-images/mine/1h0p) | Cyclophilin_5 from C. elegans | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 5 | Authors: | Picken, N.C, Eschenlauer, S, Taylor, P, Page, A.P, Walkinshaw, M.D. | Deposit date: | 2002-06-26 | Release date: | 2002-09-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biological Characterisation of the Gut-Associated Cyclophilin B Isoforms from Caenorhabditis Elegans J.Mol.Biol., 322, 2002
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1VYM
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![BU of 1vym by Molmil](/molmil-images/mine/1vym) | NATIVE HUMAN PCNA | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M. | Deposit date: | 2004-05-03 | Release date: | 2005-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design Proc.Natl.Acad.Sci.USA, 102, 2005
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1W60
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![BU of 1w60 by Molmil](/molmil-images/mine/1w60) | NATIVE HUMAN PCNA | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M. | Deposit date: | 2004-08-11 | Release date: | 2005-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design Proc.Natl.Acad.Sci.USA, 102, 2005
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1J3I
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![BU of 1j3i by Molmil](/molmil-images/mine/1j3i) | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | Deposit date: | 2003-02-03 | Release date: | 2003-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures. NAT.STRUCT.BIOL., 10, 2003
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1J3K
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![BU of 1j3k by Molmil](/molmil-images/mine/1j3k) | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | Deposit date: | 2003-02-03 | Release date: | 2003-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures. NAT.STRUCT.BIOL., 10, 2003
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