5DVS
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![BU of 5dvs by Molmil](/molmil-images/mine/5dvs) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Methyl-substituted Triaryl-imine 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol | Descriptor: | 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-21 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5E14
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![BU of 5e14 by Molmil](/molmil-images/mine/5e14) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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3B9F
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![BU of 3b9f by Molmil](/molmil-images/mine/3b9f) | 1.6 A structure of the PCI-thrombin-heparin complex | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, GLYCEROL, Plasma serine protease inhibitor, ... | Authors: | Li, W, Adams, T.E, Huntington, J.A. | Deposit date: | 2007-11-05 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of thrombin recognition by protein C inhibitor revealed by the 1.6-A structure of the heparin-bridged complex. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4YFT
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![BU of 4yft by Molmil](/molmil-images/mine/4yft) | HUab-20bp | Descriptor: | DNA-binding protein HU-alpha, DNA-binding protein HU-beta, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-25 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.914 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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5E0X
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![BU of 5e0x by Molmil](/molmil-images/mine/5e0x) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.014 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4YKZ
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![BU of 4ykz by Molmil](/molmil-images/mine/4ykz) | Heat Shock Protein 90 Bound to CS320 | Descriptor: | (2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone, Heat shock protein HSP 90-alpha | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Heat Shock Protein 90 Bound to CS320 To Be Published
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3BEG
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![BU of 3beg by Molmil](/molmil-images/mine/3beg) | Crystal structure of SR protein kinase 1 complexed to its substrate ASF/SF2 | Descriptor: | ALANINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHOSERINE, ... | Authors: | Ngo, J.C, Giang, K, Chakrabarti, S, Ma, C.-T, Huynh, N, Hagopian, J, Dorrestein, P.C, Fu, X.-D, Adams, J.A, Ghosh, G. | Deposit date: | 2007-11-18 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A sliding docking interaction is essential for sequential and
processive phosphorylation of an SR protein by SRPK1 Mol.Cell, 29, 2008
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3BHU
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![BU of 3bhu by Molmil](/molmil-images/mine/3bhu) | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 | Descriptor: | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | Deposit date: | 2007-11-29 | Release date: | 2008-02-12 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases Cancer Res., 67, 2007
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4YQM
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![BU of 4yqm by Molmil](/molmil-images/mine/4yqm) | Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-27 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, Glutathione S-transferase omega-1 | Authors: | Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor. Nat Commun, 7, 2016
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3CTN
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![BU of 3ctn by Molmil](/molmil-images/mine/3ctn) | STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 30 STRUCTURES | Descriptor: | CALCIUM ION, TROPONIN C | Authors: | Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. | Deposit date: | 1997-05-08 | Release date: | 1998-05-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain. J.Biol.Chem., 272, 1997
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3DEN
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![BU of 3den by Molmil](/molmil-images/mine/3den) | Structure of E. coli DHDPS mutant Y107W | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Pearce, F.G, Gerrard, J.A, Perugini, M.A, Jameson, G.B. | Deposit date: | 2008-06-10 | Release date: | 2008-11-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutating the tight-dimer interface of dihydrodipicolinate synthase disrupts the enzyme quaternary structure: toward a monomeric enzyme Biochemistry, 47, 2008
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6F58
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![BU of 6f58 by Molmil](/molmil-images/mine/6f58) | Crystal structure of human Brachyury (T) in complex with DNA | Descriptor: | Brachyury protein, DNA (5'-D(*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP*AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*TP*T)-3'), SODIUM ION | Authors: | Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-12-01 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Crystal structure of human Brachyury (T) in complex with DNA To Be Published
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4YKT
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![BU of 4ykt by Molmil](/molmil-images/mine/4ykt) | Heat Shock Protein 90 Bound to CS307 | Descriptor: | 1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Heat Shock Protein 90 Bound to CS307 To Be Published
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3DES
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![BU of 3des by Molmil](/molmil-images/mine/3des) | Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Phe dipeptide | Descriptor: | ALANINE, MAGNESIUM ION, Muconate cycloisomerase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-10 | Release date: | 2008-11-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening. Structure, 16, 2008
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3DG6
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![BU of 3dg6 by Molmil](/molmil-images/mine/3dg6) | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-12 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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5G1M
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![BU of 5g1m by Molmil](/molmil-images/mine/5g1m) | Crystal structure of NagZ from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, BETA-HEXOSAMINIDASE, CHLORIDE ION, ... | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-03-28 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5G22
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![BU of 5g22 by Molmil](/molmil-images/mine/5g22) | Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26) | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ... | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | Deposit date: | 2016-04-06 | Release date: | 2017-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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4YQQ
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![BU of 4yqq by Molmil](/molmil-images/mine/4yqq) | |
3DG7
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![BU of 3dg7 by Molmil](/molmil-images/mine/3dg7) | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-12 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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3DBA
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![BU of 3dba by Molmil](/molmil-images/mine/3dba) | Crystal structure of the cGMP-bound GAF a domain from the photoreceptor phosphodiesterase 6C | Descriptor: | Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha', GLYCEROL, GUANOSINE-3',5'-MONOPHOSPHATE | Authors: | Martinez, S.E, Heikaus, C.C, Klevit, R.E, Beavo, J.A. | Deposit date: | 2008-05-30 | Release date: | 2008-07-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The Structure of the GAF A Domain from Phosphodiesterase 6C Reveals Determinants of cGMP Binding, a Conserved Binding Surface, and a Large cGMP-dependent Conformational Change. J.Biol.Chem., 283, 2008
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6FD8
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![BU of 6fd8 by Molmil](/molmil-images/mine/6fd8) | Gamma-s crystallin dimer | Descriptor: | Beta-crystallin S | Authors: | Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A. | Deposit date: | 2017-12-22 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation. J. Mol. Biol., 431, 2019
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3DDQ
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![BU of 3ddq by Molmil](/molmil-images/mine/3ddq) | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | Descriptor: | Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ... | Authors: | Echalier, A, Endicott, J.A. | Deposit date: | 2008-06-06 | Release date: | 2008-07-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene, 27, 2008
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5FV7
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![BU of 5fv7 by Molmil](/molmil-images/mine/5fv7) | Human Fen1 in complex with an N-hydroxyurea compound | Descriptor: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, FLAP ENDONUCLEASE 1, MAGNESIUM ION | Authors: | Exell, J.C, Thompson, M.J, Finger, L.D, Shaw, S.K, Abbott, W.M, McWhirter, C, Debreczeni, J.E, Jones, C.D, Nissink, J.W.M, Ward, T.A, Sioberg, C.W.L, Molina, D.M, Durant, S.T, Grasby, J.A. | Deposit date: | 2016-02-03 | Release date: | 2016-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Cellular Active N-Hydroxyurea Fen1 Inhibitors Block Substrate Entry to the Active Site Nat.Chem.Biol., 12, 2016
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3DER
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![BU of 3der by Molmil](/molmil-images/mine/3der) | Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Lys dipeptide | Descriptor: | ALANINE, LYSINE, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-10 | Release date: | 2008-11-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening. Structure, 16, 2008
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4YWH
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![BU of 4ywh by Molmil](/molmil-images/mine/4ywh) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE | Descriptor: | ABC TRANSPORTER SOLUTE BINDING PROTEIN, beta-D-xylopyranose | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-20 | Release date: | 2015-04-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE To be published
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