1N6B
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![BU of 1n6b by Molmil](/molmil-images/mine/1n6b) | Microsomal Cytochrome P450 2C5/3LVdH Complex with a dimethyl derivative of sulfaphenazole | Descriptor: | 4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE, Cytochrome P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wester, M.R, Johnson, E.F, Marques-Soares, C, Dansette, P.M, Mansuy, D, Stout, C.D. | Deposit date: | 2002-11-09 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a Substrate Complex of Mammalian Cytochrome P450 2C5 at 2.3 A Resolution: Evidence
for Multiple Substrate Binding Modes Biochemistry, 42, 2003
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1N6G
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![BU of 1n6g by Molmil](/molmil-images/mine/1n6g) | The structure of immature Dengue-2 prM particles | Descriptor: | major envelope protein E | Authors: | Zhang, Y, Corver, J, Chipman, P.R, Zhang, W, Pletnev, S.V, Sedlak, D, Baker, T.S, Strauss, J.H, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2002-11-10 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (16 Å) | Cite: | Structures of Immature flavivirus particles EMBO J., 22, 2003
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3P8K
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![BU of 3p8k by Molmil](/molmil-images/mine/3p8k) | Crystal Structure of a putative carbon-nitrogen family hydrolase from Staphylococcus aureus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gordon, R.D, Qiu, W, Battaile, K, Lam, K, Soloveychik, M, Benetteraj, D, Romanov, V, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2010-10-14 | Release date: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of carbon-nitrogen family hydrolase from Staphylococcus aureus To be Published
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1MW0
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![BU of 1mw0 by Molmil](/molmil-images/mine/1mw0) | Amylosucrase mutant E328Q co-crystallized with maltoheptaose then soaked with maltoheptaose. | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, amylosucrase, ... | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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3P93
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![BU of 3p93 by Molmil](/molmil-images/mine/3p93) | Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, D-MANNONIC ACID, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-10-15 | Release date: | 2011-10-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM CHROMOHALOBACTER SALEXIGENS complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate To be Published
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2WGM
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![BU of 2wgm by Molmil](/molmil-images/mine/2wgm) | Complete ion-coordination structure in the rotor ring of Na-dependent F-ATP synthase | Descriptor: | ATP SYNTHASE SUBUNIT C, SODIUM ION SPECIFIC, NONAN-1-OL, ... | Authors: | Meier, T, Pogoryelov, D, Diederichs, K. | Deposit date: | 2009-04-21 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Complete Ion-Coordination Structure in the Rotor Ring of Na(+)-Dependent F-ATP Synthases. J.Mol.Biol., 391, 2009
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2WGR
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![BU of 2wgr by Molmil](/molmil-images/mine/2wgr) | Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase | Descriptor: | GLUTATHIONE PEROXIDASE, PYROPHOSPHATE 2- | Authors: | Dimastrogiovanni, D, Anselmi, M, Miele, A.E, Boumis, G, Angelucci, F, Di Nola, A, Brunori, M, Bellelli, A. | Deposit date: | 2009-04-24 | Release date: | 2009-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase. Proteins, 78, 2010
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3OM2
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![BU of 3om2 by Molmil](/molmil-images/mine/3om2) | Crystal structure of B. megaterium levansucrase mutant D257A | Descriptor: | CALCIUM ION, CITRIC ACID, Levansucrase, ... | Authors: | Strube, C.P, Homann, A, Gamer, M, Jahn, D, Seibel, J, Heinz, D.W. | Deposit date: | 2010-08-26 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs. J.Biol.Chem., 286, 2011
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2V98
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![BU of 2v98 by Molmil](/molmil-images/mine/2v98) | Structure of the complex of TcAChE with 1-(2-nitrophenyl)-2,2,2- trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature, during the first 5 seconds of which laser irradiation at 266nm took place | Descriptor: | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | Deposit date: | 2007-08-22 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
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1N0I
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![BU of 1n0i by Molmil](/molmil-images/mine/1n0i) | Crystal Structure of Ferrochelatase with Cadmium bound at active site | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferrochelatase, ... | Authors: | Lecerof, D, Fodje, M.N, Leon, R.A, Olsson, U, Hansson, A, Sigfridsson, E, Ryde, U, Hansson, M, Al-Karadaghi, S. | Deposit date: | 2002-10-14 | Release date: | 2003-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal binding to Bacillus subtilis ferrochelatase and interaction between metal sites J.Biol.Inorg.Chem., 8, 2003
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8RSC
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![BU of 8rsc by Molmil](/molmil-images/mine/8rsc) | p97 (VCP) mutant - F539A | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | Deposit date: | 2024-01-24 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | p97 (VCP) mutant - F539A To Be Published
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8QRF
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![BU of 8qrf by Molmil](/molmil-images/mine/8qrf) | SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs | Descriptor: | Beta-49 heavy chain, Beta-49 light chain, Spike protein S1, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-10-06 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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2VIW
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![BU of 2viw by Molmil](/molmil-images/mine/2viw) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
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8R80
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![BU of 8r80 by Molmil](/molmil-images/mine/8r80) | SARS-CoV-2 Delta RBD in complex with XBB-9 Fab and an anti-Fab nanobody | Descriptor: | Spike protein S1, XBB-9 Fab heavy chain, XBB-9 Fab light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-11-27 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (4.03 Å) | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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2VDV
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![BU of 2vdv by Molmil](/molmil-images/mine/2vdv) | Structure of trm8, m7G methylation enzyme | Descriptor: | S-ADENOSYLMETHIONINE, TRNA (GUANINE-N(7)-)-METHYLTRANSFERASE | Authors: | Leulliot, N, Chaillet, M, Durand, D, Ulryck, N, Blondeau, K, Van Tilbeurgh, H. | Deposit date: | 2007-10-11 | Release date: | 2007-12-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Yeast tRNA M7G Methylation Complex. Structure, 16, 2008
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2V1O
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![BU of 2v1o by Molmil](/molmil-images/mine/2v1o) | Crystal structure of N-terminal domain of acyl-CoA thioesterase 7 | Descriptor: | COENZYME A, CYTOSOLIC ACYL COENZYME A THIOESTER HYDROLASE | Authors: | Forwood, J.K, Thakur, A.S, Guncar, G, Marfori, M, Mouradov, D, Meng, W.N, Robinson, J, Huber, T, Kellie, S, Martin, J.L, Hume, D.A, Kobe, B. | Deposit date: | 2007-05-28 | Release date: | 2007-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Basis for Recruitment of Tandem Hotdog Domains in Acyl-Coa Thioesterase 7 and its Role in Inflammation. Proc.Natl.Acad.Sci.USA, 104, 2007
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3OSL
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![BU of 3osl by Molmil](/molmil-images/mine/3osl) | Structure of bovine thrombin-activatable fibrinolysis inhibitor in complex with tick carboxypeptidase inhibitor | Descriptor: | Carboxypeptidase B2, Carboxypeptidase inhibitor, ZINC ION | Authors: | Valnickova, Z, Sanglas, L, Arolas, J.L, Petersen, S.V, Schar, C, Otzen, D, Aviles, F.X, Gomis-Ruth, F.X, Enghild, J.J. | Deposit date: | 2010-09-09 | Release date: | 2010-09-29 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Flexibility of the Thrombin-activatable Fibrinolysis Inhibitor Pro-domain Enables Productive Binding of Protein Substrates. J.Biol.Chem., 285, 2010
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2V8Q
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![BU of 2v8q by Molmil](/molmil-images/mine/2v8q) | Crystal structure of the regulatory fragment of mammalian AMPK in complexes with AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-13 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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1NA4
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![BU of 1na4 by Molmil](/molmil-images/mine/1na4) | The structure of immature Yellow Fever virus particle | Descriptor: | major envelope protein E | Authors: | Zhang, Y, Corver, J, Chipman, P.R, Lenches, E, Zhang, W, Pletnev, S.V, Sedlak, D, Baker, T.S, Strauss, J.H, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2002-11-26 | Release date: | 2003-12-09 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of immature flavivirus particles EMBO J., 22, 2003
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2VKI
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![BU of 2vki by Molmil](/molmil-images/mine/2vki) | Structure of the PDK1 PH domain K465E mutant | Descriptor: | 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION | Authors: | Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2007-12-19 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance. Mol.Cell.Biol., 28, 2008
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4ETJ
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![BU of 4etj by Molmil](/molmil-images/mine/4etj) | Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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2VHV
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![BU of 2vhv by Molmil](/molmil-images/mine/2vhv) | |
4ERD
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![BU of 4erd by Molmil](/molmil-images/mine/4erd) | Crystal structure of the C-terminal domain of Tetrahymena telomerase protein p65 in complex with stem IV of telomerase RNA | Descriptor: | 5'-R(P*GP*GP*UP*CP*GP*AP*CP*AP*UP*CP*UP*UP*CP*GP*GP*AP*UP*GP*GP*AP*CP*C)-3', POTASSIUM ION, Telomerase associated protein p65 | Authors: | Singh, M, Wang, Z, Koo, B.-K, Patel, A, Cascio, D, Collins, K, Feigon, J. | Deposit date: | 2012-04-19 | Release date: | 2012-06-20 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.589 Å) | Cite: | Structural Basis for Telomerase RNA Recognition and RNP Assembly by the Holoenzyme La Family Protein p65. Mol.Cell, 47, 2012
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3OVG
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![BU of 3ovg by Molmil](/molmil-images/mine/3ovg) | The crystal structure of an amidohydrolase from Mycoplasma synoviae with Zn ion bound | Descriptor: | PHOSPHATE ION, ZINC ION, amidohydrolase | Authors: | Zhang, Z, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-09-16 | Release date: | 2010-10-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.059 Å) | Cite: | The crystal structure of an amidohydrolase from Mycoplasma synoviae with Zn ion bound To be Published
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1NBU
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![BU of 1nbu by Molmil](/molmil-images/mine/1nbu) | 7,8-Dihydroneopterin Aldolase Complexed with Product From Mycobacterium Tuberculosis | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, Probable dihydroneopterin aldolase | Authors: | Goulding, C.W, Apostol, M.I, Sawaya, M.R, Phillips, M, Parseghian, A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-12-03 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Regulation by oligomerization in a mycobacterial folate biosynthetic enzyme. J.Mol.Biol., 349, 2005
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