5JH7
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![BU of 5jh7 by Molmil](/molmil-images/mine/5jh7) | Tubulin-Eribulin complex | 分子名称: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O. | 登録日 | 2016-04-20 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes. Curr.Biol., 26, 2016
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8AAK
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![BU of 8aak by Molmil](/molmil-images/mine/8aak) | Crystal structure of the PDZ tandem of syntenin in complex with compound 29 | 分子名称: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1 | 著者 | Feracci, M, Barral, K. | 登録日 | 2022-07-01 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.554 Å) | 主引用文献 | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
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8AAP
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![BU of 8aap by Molmil](/molmil-images/mine/8aap) | Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi | 分子名称: | (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1 | 著者 | Feracci, M, Barral, K. | 登録日 | 2022-07-01 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.174 Å) | 主引用文献 | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
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8AAO
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![BU of 8aao by Molmil](/molmil-images/mine/8aao) | Crystal structure of the PDZ tandem of syntenin in complex with compound 95 | 分子名称: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1 | 著者 | Feracci, M, Barral, K. | 登録日 | 2022-07-01 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.469 Å) | 主引用文献 | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
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8AAI
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![BU of 8aai by Molmil](/molmil-images/mine/8aai) | |
6VC1
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![BU of 6vc1 by Molmil](/molmil-images/mine/6vc1) | Octreotide oxalate | 分子名称: | OXALATE ION, Octreotide | 著者 | Spiliopoulou, M, Karavassili, F, Triandafillidis, D, Valmas, A, Kosinas, C, Fili, S, Barlos, K, Barlos, K.K, Morin, M, Reinle-Schmitt, M, Gozzo, F, Margiolaki, I. | 登録日 | 2019-12-20 | 公開日 | 2020-12-23 | 最終更新日 | 2021-05-19 | 実験手法 | POWDER DIFFRACTION | 主引用文献 | New perspectives in macromolecular powder diffraction using single-photon-counting strip detectors: high-resolution structure of the pharmaceutical peptide octreotide. Acta Crystallogr.,Sect.A, 77, 2021
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8B1K
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![BU of 8b1k by Molmil](/molmil-images/mine/8b1k) | DtpB-Nb132-NV | 分子名称: | ASN-VAL, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1B
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![BU of 8b1b by Molmil](/molmil-images/mine/8b1b) | DtpB-Nb132-AL | 分子名称: | ALA-LEU, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1D
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![BU of 8b1d by Molmil](/molmil-images/mine/8b1d) | DtpB-Nb132-APF | 分子名称: | ALA-PRO-PHE, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1A
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![BU of 8b1a by Molmil](/molmil-images/mine/8b1a) | DtpB-Nb132-AI | 分子名称: | ALA-ILE, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1E
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![BU of 8b1e by Molmil](/molmil-images/mine/8b1e) | DtpB-Nb132-AQ | 分子名称: | ALA-GLN, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1F
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![BU of 8b1f by Molmil](/molmil-images/mine/8b1f) | DtpB-Nb132-AV | 分子名称: | ALA-VAL, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1G
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![BU of 8b1g by Molmil](/molmil-images/mine/8b1g) | DtpB-Nb132-AW | 分子名称: | ALA-TRP, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1I
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![BU of 8b1i by Molmil](/molmil-images/mine/8b1i) | DtpB-Nb132-MS | 分子名称: | DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1J
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![BU of 8b1j by Molmil](/molmil-images/mine/8b1j) | DtpB-Nb132-SL | 分子名称: | DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1C
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![BU of 8b1c by Molmil](/molmil-images/mine/8b1c) | DtpB-Nb132-ALA | 分子名称: | ALA-LEU-ALA, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B18
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![BU of 8b18 by Molmil](/molmil-images/mine/8b18) | DtpB-Nb132-AF | 分子名称: | ALA-PHE, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B17
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![BU of 8b17 by Molmil](/molmil-images/mine/8b17) | DtpB-Nb132-AWA | 分子名称: | ALA-TRP-ALA, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1H
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![BU of 8b1h by Molmil](/molmil-images/mine/8b1h) | DtpB-Nb132-KV | 分子名称: | DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B19
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![BU of 8b19 by Molmil](/molmil-images/mine/8b19) | DtpB-Nb132-AFA | 分子名称: | ALA-PHE-ALA, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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6KTK
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![BU of 6ktk by Molmil](/molmil-images/mine/6ktk) | Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NADH and L-glucono-1,5-lactone, from Paracoccus laeviglucosivorans | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-glucono-1,5-lactone, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity, ... | 著者 | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | 登録日 | 2019-08-28 | 公開日 | 2019-12-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans. Biosci.Biotechnol.Biochem., 84, 2020
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6KTL
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![BU of 6ktl by Molmil](/molmil-images/mine/6ktl) | Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NAD and myo-inositol, from Paracoccus laeviglucosivorans | 分子名称: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | 登録日 | 2019-08-28 | 公開日 | 2019-12-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans. Biosci.Biotechnol.Biochem., 84, 2020
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6KTJ
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![BU of 6ktj by Molmil](/molmil-images/mine/6ktj) | Crystal structure of scyllo-inositol dehydrogenase R178A mutant, apo-form, from Paracoccus laeviglucosivorans | 分子名称: | ACETATE ION, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | 著者 | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | 登録日 | 2019-08-28 | 公開日 | 2019-12-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans. Biosci.Biotechnol.Biochem., 84, 2020
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5LA6
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![BU of 5la6 by Molmil](/molmil-images/mine/5la6) | Tubulin-pironetin complex | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Prota, A.E, Setter, J, Waight, A.B, Bargsten, K, Murga, J, Diaz, J.F, Steinmetz, M.O. | 登録日 | 2016-06-13 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Pironetin Binds Covalently to alpha Cys316 and Perturbs a Major Loop and Helix of alpha-Tubulin to Inhibit Microtubule Formation. J.Mol.Biol., 428, 2016
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6BK3
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![BU of 6bk3 by Molmil](/molmil-images/mine/6bk3) | Crystal structure of Os79 from O. sativa in complex with UDP and deoxynivalenol-3-glucoside (glucose moitey not resolved) | 分子名称: | (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, UDP-glycosyltransferase 79, URIDINE-5'-DIPHOSPHATE | 著者 | Wetterhorn, K, Gabardi, K, Rayment, I. | 登録日 | 2017-11-07 | 公開日 | 2017-11-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa. Biochemistry, 56, 2017
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