5M1E
| Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | 分子名称: | (16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | 著者 | Marshall, S.A, Leys, D. | 登録日 | 2016-10-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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8IFM
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8IFL
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8HTU
| Cryo-EM structure of PpPSI-L | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | 著者 | Li, M, Pan, X.W, Sun, H.Y. | 登録日 | 2022-12-21 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | 主引用文献 | Structural insights into the assembly and energy transfer of the Lhcb9-dependent photosystem I from moss Physcomitrium patens. Nat.Plants, 9, 2023
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8CGK
| Lincomycin and Avilamycin bound to the 50S subunit | 分子名称: | (2R,3S,4R,6S)-4-hydroxy-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-({(2R,3aS,3a'R,6S,6'R,7R,7'R,7aR,7a'R)-7'-hydroxy-7'-[(1S)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name), 23S rRNA, 50S ribosomal protein L15, ... | 著者 | Paternoga, H, Crowe-McAuliffe, C, Beckert, B, Wilson, D.N. | 登録日 | 2023-02-05 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (1.64 Å) | 主引用文献 | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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8C29
| Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | 著者 | Kopecny, D, Semchonok, D.A, Kouril, R. | 登録日 | 2022-12-21 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.785 Å) | 主引用文献 | Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol. Nat.Plants, 9, 2023
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7ZZF
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-18,20-dione, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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7ZZG
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | (1~{R},24~{R},25~{S},26~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-25,26-bis(oxidanyl)-27-oxa-2,4,6,9,14,17,20,22-octazatetracyclo[22.2.1.0^{2,10}.0^{3,8}]heptacosa-3(8),4,6,9-tetraen-11-yne-16,21-dione, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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7ZZH
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | (1~{R},22~{R},23~{S},24~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-23,24-bis(oxidanyl)-25-oxa-2,4,6,9,14,17,20-heptazatetracyclo[20.2.1.0^{2,10}.0^{3,8}]pentacosa-3(8),4,6,9-tetraen-11-yne-16,19-dione, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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7ZZJ
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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7ZZE
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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8B47
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a cyclic di-adenosine derivative | 分子名称: | (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one, NAD kinase 1, PENTAETHYLENE GLYCOL, ... | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-09-20 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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7O0W
| Cryo-EM structure of the RC-dLH complex (model_1b) from Gemmatimonas phototrophica at 2.47 A | 分子名称: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | 著者 | Qian, P, Koblizek, M. | 登録日 | 2021-03-27 | 公開日 | 2022-03-02 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (2.47 Å) | 主引用文献 | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0U
| Cryo-EM structure (model_1a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.4 A | 分子名称: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | 著者 | Qian, P, Koblizek, M. | 登録日 | 2021-03-27 | 公開日 | 2022-03-02 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (2.35 Å) | 主引用文献 | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0X
| Cryo-EM structure (model_2b) of the RC-dLH complex from Gemmatimonas phototrophica at 2.44 A | 分子名称: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | 著者 | Qian, P, Koblizek, M. | 登録日 | 2021-03-28 | 公開日 | 2022-03-02 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (2.44 Å) | 主引用文献 | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0V
| Cryo-EM structure (model_2a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.5 A | 分子名称: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | 著者 | Qian, P, Koblizek, M. | 登録日 | 2021-03-27 | 公開日 | 2022-03-02 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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5LWN
| Crystal structure of JAK3 in complex with Compound 5 (FM409) | 分子名称: | (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide, (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, ... | 著者 | Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-18 | 公開日 | 2016-10-26 | 最終更新日 | 2016-11-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket. Cell Chem Biol, 23, 2016
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5LYQ
| Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator. | 分子名称: | (2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | 著者 | Andrei, S.A, Ottmann, C. | 登録日 | 2016-09-28 | 公開日 | 2017-04-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Designed Spiroketal Protein Modulation. Angew. Chem. Int. Ed. Engl., 56, 2017
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5LOQ
| Structure of coproheme bound HemQ from Listeria monocytogenes | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ... | 著者 | Puehringer, D, Mlynek, G, Hofbauer, S, Djinovic-Carugo, K, Obinger, C. | 登録日 | 2016-08-09 | 公開日 | 2016-10-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Hydrogen peroxide-mediated conversion of coproheme to heme b by HemQ-lessons from the first crystal structure and kinetic studies. FEBS J., 283, 2016
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5WQH
| Structure of fungal meroterpenoid isomerase Trt14 complexed with substrate analog and endo-terretonin D | 分子名称: | CALCIUM ION, Isomerase trt14, methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate, ... | 著者 | Mori, T, Matsuda, Y, Abe, I. | 登録日 | 2016-11-26 | 公開日 | 2017-07-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | 主引用文献 | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis Nat. Chem. Biol., 13, 2017
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5M0Z
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8EWI
| Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a tetrameric form | 分子名称: | E3 ubiquitin-protein ligase UBR5, ZINC ION | 著者 | Wang, F, He, Q, Lin, G, Li, H. | 登録日 | 2022-10-23 | 公開日 | 2023-04-19 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of the human UBR5 E3 ubiquitin ligase. Structure, 31, 2023
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2F98
| Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity. | 分子名称: | Aklanonic Acid methyl Ester Cyclase, AknH, METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE, ... | 著者 | Kallio, P, Sultana, A, Neimi, J, Mantsala, P, Schneider, G. | 登録日 | 2005-12-05 | 公開日 | 2006-02-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity. J.Mol.Biol., 357, 2006
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4BZC
| Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core | 分子名称: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ... | 著者 | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | 登録日 | 2013-07-25 | 公開日 | 2013-10-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Mechanism of Allosteric Activation of Samhd1 by Dgtp Nat.Struct.Mol.Biol., 20, 2013
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4BZB
| Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION | 著者 | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | 登録日 | 2013-07-25 | 公開日 | 2013-10-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Mechanism of Allosteric Activation of Samhd1 by Dgtp Nat.Struct.Mol.Biol., 20, 2013
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