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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8BDG
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![BU of 8bdg by Molmil](/molmil-images/mine/8bdg) | Tubulin-taxane-2b complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | 登録日 | 2022-10-19 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8BDF
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![BU of 8bdf by Molmil](/molmil-images/mine/8bdf) | Tubulin-taxane-2a complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | 登録日 | 2022-10-19 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8BDE
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![BU of 8bde by Molmil](/molmil-images/mine/8bde) | Tubulin-baccatin III complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | 登録日 | 2022-10-19 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8AAI
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![BU of 8aai by Molmil](/molmil-images/mine/8aai) | |
8B61
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![BU of 8b61 by Molmil](/molmil-images/mine/8b61) | Crystal structure of BfrC protein from Bacteroides fragilis NCTC 9343 | 分子名称: | Conserved hypothetical lipoprotein, GLYCEROL, pentane-1,3,5-tricarboxylic acid | 著者 | Antonyuk, S.V, Barnett, K, Strange, R.W, Olczak, T. | 登録日 | 2022-09-25 | 公開日 | 2023-05-31 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Bacteroides fragilis expresses three proteins similar to Porphyromonas gingivalis HmuY: Hemophore-like proteins differentially evolved to participate in heme acquisition in oral and gut microbiomes. Faseb J., 37, 2023
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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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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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6LXF
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![BU of 6lxf by Molmil](/molmil-images/mine/6lxf) | Aromatic interactions drive the coupled folding and binding of the intrinsically disordered Sesbania mosaic virus VPg protein. | 分子名称: | Polyprotein | 著者 | Dixit, K, Karanth, N.M, Nair, S, Kumari, K, Chakrabarti, K.S, Savithri, H.S, Sarma, S.P. | 登録日 | 2020-02-11 | 公開日 | 2021-01-20 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Aromatic Interactions Drive the Coupled Folding and Binding of the Intrinsically Disordered Sesbania mosaic Virus VPg Protein. Biochemistry, 59, 2020
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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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4U80
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![BU of 4u80 by Molmil](/molmil-images/mine/4u80) | MEK 1 kinase bound to G799 | 分子名称: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Ultsch, M.H, Robarge, K.D, Weismann, C. | 登録日 | 2014-07-31 | 公開日 | 2014-09-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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