5KLF
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![BU of 5klf by Molmil](/molmil-images/mine/5klf) | Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose and gadolinium ion | 分子名称: | Carbohydrate binding module E1, GADOLINIUM ATOM, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M. | 登録日 | 2016-06-24 | 公開日 | 2016-09-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties. J.Biol.Chem., 291, 2016
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7ZXS
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![BU of 7zxs by Molmil](/molmil-images/mine/7zxs) | Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 | 分子名称: | 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ross, B, Huber, R. | 登録日 | 2022-05-22 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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6TOF
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![BU of 6tof by Molmil](/molmil-images/mine/6tof) | Crystal structure of human BCL6 BTB domain in complex with compound 4 | 分子名称: | 1,2-ETHANEDIOL, 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | 著者 | Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | 登録日 | 2019-12-11 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
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5I3B
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![BU of 5i3b by Molmil](/molmil-images/mine/5i3b) | Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroquinone inhibitor in the active site | 分子名称: | Tyrosinase, ZINC ION, benzene-1,4-diol | 著者 | Kanteev, M, Deri, B, Adir, N, Fishman, A. | 登録日 | 2016-02-10 | 公開日 | 2016-10-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The unravelling of the complex pattern of tyrosinase inhibition. Sci Rep, 6, 2016
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5CTW
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![BU of 5ctw by Molmil](/molmil-images/mine/5ctw) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ... | 著者 | Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | 登録日 | 2015-07-24 | 公開日 | 2016-02-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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5CPH
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![BU of 5cph by Molmil](/molmil-images/mine/5cph) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | 分子名称: | (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ... | 著者 | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | 登録日 | 2015-07-21 | 公開日 | 2016-02-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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8BQW
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![BU of 8bqw by Molmil](/molmil-images/mine/8bqw) | Cryo-EM structure of alpha-synuclein filaments doublet from Juvenile-onset synucleinopathy | 分子名称: | Alpha-synuclein, Unknown protein | 著者 | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | 登録日 | 2023-01-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy. Acta Neuropathol, 145, 2023
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4Z84
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![BU of 4z84 by Molmil](/molmil-images/mine/4z84) | PKAB3 in complex with pyrrolidine inhibitor 34a | 分子名称: | 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Lund, B.A, Alam, K.A, Engh, R.A. | 登録日 | 2015-04-08 | 公開日 | 2015-12-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.554 Å) | 主引用文献 | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic. Chemistry, 22, 2016
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5KPM
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![BU of 5kpm by Molmil](/molmil-images/mine/5kpm) | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | 分子名称: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | 登録日 | 2016-07-04 | 公開日 | 2018-03-14 | 最終更新日 | 2018-03-21 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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5KLE
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![BU of 5kle by Molmil](/molmil-images/mine/5kle) | Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose | 分子名称: | Carbohydrate binding module E1, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M. | 登録日 | 2016-06-24 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties. J.Biol.Chem., 291, 2016
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3LF5
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![BU of 3lf5 by Molmil](/molmil-images/mine/3lf5) | Structure of Human NADH cytochrome b5 oxidoreductase (Ncb5or) b5 Domain to 1.25A Resolution | 分子名称: | Cytochrome b5 reductase 4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Deng, B, Parthasarathy, S, Wang, W, Gibney, B.R, Battaile, K.P, Lovell, S, Benson, D.R, Zhu, H. | 登録日 | 2010-01-15 | 公開日 | 2010-07-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Study of the individual cytochrome b5 and cytochrome b5 reductase domains of Ncb5or reveals a unique heme pocket and a possible role of the CS domain. J.Biol.Chem., 285, 2010
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5KPL
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![BU of 5kpl by Molmil](/molmil-images/mine/5kpl) | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | 登録日 | 2016-07-04 | 公開日 | 2018-03-14 | 最終更新日 | 2018-03-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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5HFS
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![BU of 5hfs by Molmil](/molmil-images/mine/5hfs) | CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM | 分子名称: | CALCIUM ION, Gingipain R2, ZINC ION | 著者 | Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J. | 登録日 | 2016-01-07 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain. Sci Rep, 6, 2016
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7XT6
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![BU of 7xt6 by Molmil](/molmil-images/mine/7xt6) | Structure of a membrane protein M3 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, ... | 著者 | Ma, X, Zhu, Y, Chen, Y, Huang, Z. | 登録日 | 2022-05-16 | 公開日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | 主引用文献 | Cryo-EM structures of two human B cell receptor isotypes. Science, 377, 2022
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5GM2
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![BU of 5gm2 by Molmil](/molmil-images/mine/5gm2) | Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1 | 分子名称: | (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | 登録日 | 2016-07-12 | 公開日 | 2016-09-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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6GLB
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![BU of 6glb by Molmil](/molmil-images/mine/6glb) | Crystal structure of JAK3 in complex with Compound 20 (FM484) | 分子名称: | 1,2-ETHANEDIOL, 1-phenylurea, 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile, ... | 著者 | Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-05-23 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold. J. Med. Chem., 61, 2018
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7K80
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![BU of 7k80 by Molmil](/molmil-images/mine/7k80) | KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ... | 著者 | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | 登録日 | 2020-09-24 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1. J Immunol., 206, 2021
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4Z83
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![BU of 4z83 by Molmil](/molmil-images/mine/4z83) | PKAB3 in complex with pyrrolidine inhibitor 47a | 分子名称: | 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Lund, B.A, Alam, K.A, Engh, R.A. | 登録日 | 2015-04-08 | 公開日 | 2015-12-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic. Chemistry, 22, 2016
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1M5K
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5LJO
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![BU of 5ljo by Molmil](/molmil-images/mine/5ljo) | E. coli BAM complex (BamABCDE) by cryoEM | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | 著者 | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J. | 登録日 | 2016-07-19 | 公開日 | 2016-10-12 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | 主引用文献 | Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM. Nat Commun, 7, 2016
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7DM1
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![BU of 7dm1 by Molmil](/molmil-images/mine/7dm1) | crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36 | 分子名称: | PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ... | 著者 | Ma, B, Freund, N, Xiang, Y. | 登録日 | 2020-12-01 | 公開日 | 2020-12-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis. Nat Commun, 12, 2021
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6U62
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![BU of 6u62 by Molmil](/molmil-images/mine/6u62) | Raptor-Rag-Ragulator complex | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Rogala, K.B, Sabatini, D.M. | 登録日 | 2019-08-29 | 公開日 | 2019-10-30 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | Structural basis for the docking of mTORC1 on the lysosomal surface. Science, 366, 2019
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6R7B
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![BU of 6r7b by Molmil](/molmil-images/mine/6r7b) | Crystal structure of Csx1 in complex with cyclic oligoadenylate cOA4 conformation 1 | 分子名称: | CRISPR-associated (Cas) DxTHG family, RNA (5'-R(P*AP*AP*AP*A)-3') | 著者 | Molina, R, Montoya, G, Sofos, N, Stella, S. | 登録日 | 2019-03-28 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas. Nat Commun, 10, 2019
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5IDN
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![BU of 5idn by Molmil](/molmil-images/mine/5idn) | CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-methanone | 分子名称: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | 著者 | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | 登録日 | 2016-02-24 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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7RZW
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![BU of 7rzw by Molmil](/molmil-images/mine/7rzw) | CryoEM structure of Arabidopsis thaliana phytochrome B | 分子名称: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B | 著者 | Li, H, Burgie, E.S, Vierstra, R.D, Li, H. | 登録日 | 2021-08-27 | 公開日 | 2022-04-13 | 最終更新日 | 2022-04-20 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Plant phytochrome B is an asymmetric dimer with unique signalling potential. Nature, 604, 2022
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