6LYR
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![BU of 6lyr by Molmil](/molmil-images/mine/6lyr) | Structure of the BAM complex | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | 著者 | Xiao, L, Huang, Y. | 登録日 | 2020-02-15 | 公開日 | 2021-01-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.28 Å) | 主引用文献 | Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates. Faseb J., 35, 2021
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6ORI
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![BU of 6ori by Molmil](/molmil-images/mine/6ori) | Enterococcal surface protein, partial N-terminal region | 分子名称: | CALCIUM ION, EF0056 | 著者 | Spiegelman, L, Zhang, L, Tezcan, A, Ghosh, P. | 登録日 | 2019-04-30 | 公開日 | 2020-05-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Enterococcal surface protein, partial N-terminal region (CASP target) To Be Published
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2WPO
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![BU of 2wpo by Molmil](/molmil-images/mine/2wpo) | HCMV protease inhibitor complex | 分子名称: | (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide, HUMAN CYTOMEGALOVIRUS PROTEASE | 著者 | Tong, L, Qian, C, Massariol, M.-J, Deziel, R, Yoakim, C, Lagace, L. | 登録日 | 1998-08-04 | 公開日 | 1999-08-04 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Conserved mode of peptidomimetic inhibition and substrate recognition of human cytomegalovirus protease. Nat.Struct.Biol., 5, 1998
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6MJW
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![BU of 6mjw by Molmil](/molmil-images/mine/6mjw) | human cGAS catalytic domain bound with the inhibitor G150 | 分子名称: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | 登録日 | 2018-09-23 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.405 Å) | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6P6W
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![BU of 6p6w by Molmil](/molmil-images/mine/6p6w) | Cryo-EM structure of voltage-gated sodium channel NavAb N49K/L109A/M116V/G94C/Q150C disulfide crosslinked mutant in the resting state | 分子名称: | Fusion of Maltose-binding protein and voltage-gated sodium channel NavAb | 著者 | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A. | 登録日 | 2019-06-04 | 公開日 | 2019-08-14 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel. Cell, 178, 2019
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4UFZ
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![BU of 4ufz by Molmil](/molmil-images/mine/4ufz) | Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE | 著者 | Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J. | 登録日 | 2015-03-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development. Bioorg.Med.Chem.Lett., 25, 2015
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4UOE
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![BU of 4uoe by Molmil](/molmil-images/mine/4uoe) | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | 著者 | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L. | 登録日 | 2014-06-03 | 公開日 | 2014-10-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design. Acta Crystallogr.,Sect.D, 71, 2015
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6MJX
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![BU of 6mjx by Molmil](/molmil-images/mine/6mjx) | human cGAS catalytic domain bound with cGAMP | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | 登録日 | 2018-09-23 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6MJU
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![BU of 6mju by Molmil](/molmil-images/mine/6mju) | human cGAS catalytic domain bound with the inhibitor G108 | 分子名称: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | 登録日 | 2018-09-22 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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4UPV
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![BU of 4upv by Molmil](/molmil-images/mine/4upv) | Low X-ray dose structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | 著者 | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | 登録日 | 2014-06-18 | 公開日 | 2014-10-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
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4UG1
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![BU of 4ug1 by Molmil](/molmil-images/mine/4ug1) | GpsB N-terminal domain | 分子名称: | CELL CYCLE PROTEIN GPSB, IMIDAZOLE, NICKEL (II) ION | 著者 | Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Muller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S. | 登録日 | 2015-03-20 | 公開日 | 2015-11-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins. Mol.Microbiol., 99, 2016
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4UPE
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![BU of 4upe by Molmil](/molmil-images/mine/4upe) | Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ... | 著者 | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | 登録日 | 2014-06-16 | 公開日 | 2014-10-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
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6P6Y
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![BU of 6p6y by Molmil](/molmil-images/mine/6p6y) | Crystal structure of voltage-gated sodium channel NavAb V100C/Q150C disulfide crosslinked mutant in the activated state | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | 著者 | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-din, T.M, Wang, L, Zheng, N, Catterall, W.A. | 登録日 | 2019-06-04 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel. Cell, 178, 2019
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2X24
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![BU of 2x24 by Molmil](/molmil-images/mine/2x24) | bovine ACC2 CT domain in complex with inhibitor | 分子名称: | ACETYL-COA CARBOXYLASE, TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE | 著者 | Oster, L, Folmer, R, Blaho, S, Wiberg, F, Hallberg, K. | 登録日 | 2010-01-11 | 公開日 | 2011-01-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of Small Molecule Inhibitors of Acetyl-Coa Carboxylase 1 and 2 Showing Reduction of Hepatic Malonyl-Coa Levels in Vivo in Obese Zucker Rats. Bioorg.Med.Chem., 19, 2011
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6P6X
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![BU of 6p6x by Molmil](/molmil-images/mine/6p6x) | Crystal structure of voltage-gated sodium channel NavAb G94C/Q150C mutant in the activated state | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | 著者 | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A. | 登録日 | 2019-06-04 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel. Cell, 178, 2019
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8FNZ
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![BU of 8fnz by Molmil](/molmil-images/mine/8fnz) | Acetylated tau repeat 1 and 2 fragment (AcR1R2) | 分子名称: | Microtubule-associated protein tau, acetylated repeat 1 and 2 fragment | 著者 | Li, L, Nguyen, A.B, Mullapudi, V, Joachimiak, L. | 登録日 | 2022-12-29 | 公開日 | 2023-06-28 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.88 Å) | 主引用文献 | Disease-associated patterns of acetylation stabilize tau fibril formation. Structure, 31, 2023
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8FG2
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![BU of 8fg2 by Molmil](/molmil-images/mine/8fg2) | SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients | 分子名称: | Nucleoprotein | 著者 | Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F. | 登録日 | 2022-12-12 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-11 | 実験手法 | ELECTRON MICROSCOPY (6 Å) | 主引用文献 | Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests. Microsc Microanal, 29, 2023
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6PQ0
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![BU of 6pq0 by Molmil](/molmil-images/mine/6pq0) | LCP-embedded Proteinase K treated with MPD | 分子名称: | CALCIUM ION, Proteinase K | 著者 | Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L. | 登録日 | 2019-07-08 | 公開日 | 2020-08-05 | 最終更新日 | 2023-10-11 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2 Å) | 主引用文献 | Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED. Structure, 28, 2020
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6PQ4
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![BU of 6pq4 by Molmil](/molmil-images/mine/6pq4) | LCP-embedded Proteinase K treated with lipase | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L. | 登録日 | 2019-07-08 | 公開日 | 2020-08-05 | 最終更新日 | 2023-10-11 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2 Å) | 主引用文献 | Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED. Structure, 28, 2020
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6PT2
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![BU of 6pt2 by Molmil](/molmil-images/mine/6pt2) | Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ... | 著者 | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | 登録日 | 2019-07-14 | 公開日 | 2019-12-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists. Sci Adv, 5, 2019
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5I43
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![BU of 5i43 by Molmil](/molmil-images/mine/5i43) | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32). | 分子名称: | (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | 登録日 | 2016-02-11 | 公開日 | 2016-07-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem, 11, 2016
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6Q8J
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![BU of 6q8j by Molmil](/molmil-images/mine/6q8j) | Nterminal domain of human SMU1 in complex with LSP641 | 分子名称: | 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea, WD40 repeat-containing protein SMU1 | 著者 | Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T. | 登録日 | 2018-12-14 | 公開日 | 2019-05-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy. Proc.Natl.Acad.Sci.USA, 116, 2019
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6NTY
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![BU of 6nty by Molmil](/molmil-images/mine/6nty) | 2.1 A resolution structure of the Musashi-2 (Msi2) RNA recognition motif 1 (RRM1) domain | 分子名称: | PHOSPHATE ION, RNA-binding protein Musashi homolog 2 | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Lan, L, Xiaoqing, W, Cooper, A, Gao, F.P, Xu, L. | 登録日 | 2019-01-30 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1. Proteins, 88, 2020
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6Q8I
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![BU of 6q8i by Molmil](/molmil-images/mine/6q8i) | Nterminal domain of human SMU1 in complex with human REDmid | 分子名称: | Protein Red, WD40 repeat-containing protein SMU1 | 著者 | Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T. | 登録日 | 2018-12-14 | 公開日 | 2019-05-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy. Proc.Natl.Acad.Sci.USA, 116, 2019
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3TJV
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![BU of 3tjv by Molmil](/molmil-images/mine/3tjv) | Crystal structure of human granzyme H with a peptidyl substrate | 分子名称: | Granzyme H, PTSYAGDDSG, SULFATE ION | 著者 | Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z. | 登録日 | 2011-08-25 | 公開日 | 2011-12-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif J.Immunol., 188, 2012
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