6M5X
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![BU of 6m5x by Molmil](/molmil-images/mine/6m5x) | A fungal glyceraldehyde-3-phosphate dehydrogenase with self-resistance to inhibitor heptelidic acid | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Yan, Y, Zang, X, Cooper, S.J, Lin, H, Zhou, J, Tang, Y. | 登録日 | 2020-03-12 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.05990934 Å) | 主引用文献 | Biosynthesis of the fungal glyceraldehyde-3-phosphate dehydrogenase inhibitor heptelidic acid and mechanism of self-resistance Chem Sci, 11, 2020
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8TN0
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![BU of 8tn0 by Molmil](/molmil-images/mine/8tn0) | Crystal structure of KPC-44 carbapenemase w/o cryoprotectant | 分子名称: | SULFATE ION, beta-lactamase | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-31 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TMR
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![BU of 8tmr by Molmil](/molmil-images/mine/8tmr) | Crystal structure of KPC-44 carbapenemase complexed with avibactam | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-30 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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7EV9
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![BU of 7ev9 by Molmil](/molmil-images/mine/7ev9) | cryoEM structure of particulate methane monooxygenase associated with Cu(I) | 分子名称: | Ammonia monooxygenase/methane monooxygenase, subunit C family protein, COPPER (I) ION, ... | 著者 | Chang, W.H, Lin, H.H, Tsai, I.K, Huang, S.H, Chung, S.C, Tu, I.P, Yu, S.F, Chan, S.I. | 登録日 | 2021-05-20 | 公開日 | 2021-07-21 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Copper Centers in the Cryo-EM Structure of Particulate Methane Monooxygenase Reveal the Catalytic Machinery of Methane Oxidation. J.Am.Chem.Soc., 143, 2021
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3I9N
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![BU of 3i9n by Molmil](/molmil-images/mine/3i9n) | Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose | 分子名称: | ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | 著者 | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | 登録日 | 2009-07-12 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9K
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![BU of 3i9k by Molmil](/molmil-images/mine/3i9k) | Crystal structure of ADP ribosyl cyclase complexed with substrate NAD | 分子名称: | ADP-ribosyl cyclase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | 登録日 | 2009-07-12 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9M
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![BU of 3i9m by Molmil](/molmil-images/mine/3i9m) | Crystal structure of human CD38 complexed with an analog ara-2'F-ADPR | 分子名称: | ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | 著者 | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | 登録日 | 2009-07-12 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9L
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![BU of 3i9l by Molmil](/molmil-images/mine/3i9l) | Crystal structure of ADP ribosyl cyclase complexed with N1-cIDPR | 分子名称: | ADP-ribosyl cyclase, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | 著者 | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | 登録日 | 2009-07-12 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9J
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![BU of 3i9j by Molmil](/molmil-images/mine/3i9j) | Crystal structure of ADP ribosyl cyclase complexed with a substrate analog and a product nicotinamide | 分子名称: | ADP-ribosyl cyclase, NICOTINAMIDE, Nicotinamide 2-fluoro-adenine dinucleotide, ... | 著者 | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | 登録日 | 2009-07-12 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3U5Y
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![BU of 3u5y by Molmil](/molmil-images/mine/3u5y) | Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity | 分子名称: | CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase, Secologanin | 著者 | Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J. | 登録日 | 2011-10-11 | 公開日 | 2011-11-30 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of alkaloid biosynthetic glucosidases decode substrate specificity. Acs Chem.Biol., 7, 2012
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3DZJ
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![BU of 3dzj by Molmil](/molmil-images/mine/3dzj) | Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex | 分子名称: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | 著者 | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | 登録日 | 2008-07-29 | 公開日 | 2008-11-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
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3DZH
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![BU of 3dzh by Molmil](/molmil-images/mine/3dzh) | Crystal structure of human CD38 extracellular domain, GTP complex | 分子名称: | ADP-ribosyl cyclase 1, GUANOSINE-5'-TRIPHOSPHATE | 著者 | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | 登録日 | 2008-07-29 | 公開日 | 2008-11-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
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3DZK
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![BU of 3dzk by Molmil](/molmil-images/mine/3dzk) | Crystal structure of human CD38 extracellular domain, NMN complex | 分子名称: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | 著者 | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | 登録日 | 2008-07-29 | 公開日 | 2008-11-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
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3DZF
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![BU of 3dzf by Molmil](/molmil-images/mine/3dzf) | Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate, ara-F-ribose-5'-phosphate | 分子名称: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1 | 著者 | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | 登録日 | 2008-07-29 | 公開日 | 2008-11-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
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3DZI
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![BU of 3dzi by Molmil](/molmil-images/mine/3dzi) | Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex | 分子名称: | 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside, ADP-ribosyl cyclase 1, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, ... | 著者 | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | 登録日 | 2008-07-29 | 公開日 | 2008-11-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
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3DZG
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![BU of 3dzg by Molmil](/molmil-images/mine/3dzg) | Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'-phosphate/nicotinamide complex | 分子名称: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE | 著者 | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | 登録日 | 2008-07-29 | 公開日 | 2008-11-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
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3U57
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![BU of 3u57 by Molmil](/molmil-images/mine/3u57) | Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity | 分子名称: | (2beta,7beta,16S,17R,19E,21beta)-21-(beta-D-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate, CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase | 著者 | Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J. | 登録日 | 2011-10-11 | 公開日 | 2011-11-30 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structures of alkaloid biosynthetic glucosidases decode substrate specificity. Acs Chem.Biol., 7, 2012
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7X8E
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![BU of 7x8e by Molmil](/molmil-images/mine/7x8e) | Crystal structure of PfHPPD-Y13287 complex | 分子名称: | 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | 登録日 | 2022-03-12 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.749 Å) | 主引用文献 | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules Adv Agrochem, 2022
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7X8H
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![BU of 7x8h by Molmil](/molmil-images/mine/7x8h) | Crystal structure of AtHPPD-(+)-Usnic acid complex | 分子名称: | (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | 登録日 | 2022-03-13 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.986 Å) | 主引用文献 | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design. J.Agric.Food Chem., 71, 2023
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7X8D
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![BU of 7x8d by Molmil](/molmil-images/mine/7x8d) | |
7X8I
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![BU of 7x8i by Molmil](/molmil-images/mine/7x8i) | Crystal structure of AtHPPD-Shikonin complex | 分子名称: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | 登録日 | 2022-03-13 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.096 Å) | 主引用文献 | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design. J.Agric.Food Chem., 71, 2023
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3U5U
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![BU of 3u5u by Molmil](/molmil-images/mine/3u5u) | Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity | 分子名称: | CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase | 著者 | Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J. | 登録日 | 2011-10-11 | 公開日 | 2011-11-30 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structures of alkaloid biosynthetic glucosidases decode substrate specificity. Acs Chem.Biol., 7, 2012
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8TG1
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![BU of 8tg1 by Molmil](/molmil-images/mine/8tg1) | Caldicellulosiruptor saccharolyticus periplasmic urea-binding protein | 分子名称: | BROMIDE ION, Extracellular ligand-binding receptor, UREA | 著者 | Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W. | 登録日 | 2023-07-12 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.097 Å) | 主引用文献 | Structure-based functional analysis reveals multiple roles and widespread use of urea-binding proteins in nitrogen metabolism To Be Published
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3ZJ6
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![BU of 3zj6 by Molmil](/molmil-images/mine/3zj6) | Crystal of Raucaffricine Glucosidase in complex with inhibitor | 分子名称: | (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | 著者 | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | 登録日 | 2013-01-17 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours. J.Enzyme.Inhib.Med.Chem., 30, 2015
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2DJY
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![BU of 2djy by Molmil](/molmil-images/mine/2djy) | Solution structure of Smurf2 WW3 domain-Smad7 PY peptide complex | 分子名称: | Mothers against decapentaplegic homolog 7, Smad ubiquitination regulatory factor 2 | 著者 | Chong, P.A, Lin, H, Wrana, J.L, Forman-Kay, J.D. | 登録日 | 2006-04-06 | 公開日 | 2006-05-02 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | An Expanded WW Domain Recognition Motif Revealed by the Interaction between Smad7 and the E3 Ubiquitin Ligase Smurf2. J.Biol.Chem., 281, 2006
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