8DMO
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![BU of 8dmo by Molmil](/molmil-images/mine/8dmo) | Structure of open, inward-facing MsbA from E. coli | 分子名称: | ATP-binding transport protein MsbA | 著者 | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | 登録日 | 2022-07-08 | 公開日 | 2022-12-14 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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5MI1
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![BU of 5mi1 by Molmil](/molmil-images/mine/5mi1) | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 9-th structure of the series with total exposition time 243 min. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ... | 著者 | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | 登録日 | 2016-11-27 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism. Acta Crystallogr D Struct Biol, 73, 2017
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6SRP
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8DMM
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![BU of 8dmm by Molmil](/molmil-images/mine/8dmm) | Structure of the vanadate-trapped MsbA bound to KDL | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA | 著者 | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | 登録日 | 2022-07-08 | 公開日 | 2022-12-14 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | 主引用文献 | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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5MIB
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![BU of 5mib by Molmil](/molmil-images/mine/5mib) | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 12-th structure of the series with total exposition time 333 min. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ... | 著者 | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | 登録日 | 2016-11-28 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism. Acta Crystallogr D Struct Biol, 73, 2017
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5K2C
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![BU of 5k2c by Molmil](/molmil-images/mine/5k2c) | 1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | 著者 | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | 登録日 | 2016-05-18 | 公開日 | 2016-09-21 | 最終更新日 | 2018-11-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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6GUZ
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![BU of 6guz by Molmil](/molmil-images/mine/6guz) | Ground state structure of Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich at room temperature | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Moraes, I, Judge, P.J, Bada Juarez, J.F, Vinals, J, Axford, D, Watts, A. | 登録日 | 2018-06-19 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Room temperature structure of the Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich To Be Published
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6X4D
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![BU of 6x4d by Molmil](/molmil-images/mine/6x4d) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor | 分子名称: | 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-05-22 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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6Y76
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![BU of 6y76 by Molmil](/molmil-images/mine/6y76) | AP01 - a redesigned transferrin receptor apical domain | 分子名称: | SODIUM ION, Transferrin receptor protein 1 | 著者 | Oberdorfer, G, Berger, S.A, Bjelic, S, Sjostrom, D.J. | 登録日 | 2020-02-28 | 公開日 | 2020-07-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Computational backbone design enables soluble engineering of transferrin receptor apical domain. Proteins, 88, 2020
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5K7C
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7ASO
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7R5L
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![BU of 7r5l by Molmil](/molmil-images/mine/7r5l) | Crystal structure of YTHDF2 with compound YLI_DC1_015 | 分子名称: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one, SULFATE ION, YTH domain-containing family protein 2 | 著者 | Nachawati, R, Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-02-10 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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8V1J
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4Y4T
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8RJY
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![BU of 8rjy by Molmil](/molmil-images/mine/8rjy) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication) | 分子名称: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-22 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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5MB6
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7STU
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![BU of 7stu by Molmil](/molmil-images/mine/7stu) | Crystal structure of sulfatase from Pedobacter yulinensis | 分子名称: | BROMIDE ION, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ... | 著者 | O'Malley, A, Schlachter, C.R, Grimes, L.L, Tomashek, J.J, Lee, A.L, Chruszcz, M. | 登録日 | 2021-11-15 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Purification, Characterization, and Structural Studies of a Sulfatase from Pedobacter yulinensis . Molecules, 27, 2021
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7L08
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![BU of 7l08 by Molmil](/molmil-images/mine/7l08) | Cryo-EM structure of the human 55S mitoribosome-RRFmt complex. | 分子名称: | 12S rRNA, 16S RRNA, 28S ribosomal protein S10, ... | 著者 | Koripella, R, Agrawal, E.K, Deep, A, Agrawal, R.K. | 登録日 | 2020-12-11 | 公開日 | 2021-05-12 | 最終更新日 | 2021-12-01 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | Distinct mechanisms of the human mitoribosome recycling and antibiotic resistance. Nat Commun, 12, 2021
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5MBQ
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![BU of 5mbq by Molmil](/molmil-images/mine/5mbq) | CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni | 分子名称: | Enterochelin uptake periplasmic binding protein | 著者 | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | 登録日 | 2016-11-08 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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8QVD
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![BU of 8qvd by Molmil](/molmil-images/mine/8qvd) | Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), wild type crystal cryoprotected with glycerol | 分子名称: | CADMIUM ION, DUF6379 domain-containing protein, Xylose isomerase-like TIM barrel domain-containing protein | 著者 | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | 登録日 | 2023-10-17 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius. J.Mol.Biol., 436, 2024
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7STT
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![BU of 7stt by Molmil](/molmil-images/mine/7stt) | Crystal structure of sulfatase from Pedobacter yulinensis | 分子名称: | CALCIUM ION, CHLORIDE ION, MALONATE ION, ... | 著者 | O'Malley, A, Schlachter, C.R, Grimes, L.L, Tomashek, J.J, Lee, A.L, Chruszcz, M. | 登録日 | 2021-11-15 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | 主引用文献 | Purification, Characterization, and Structural Studies of a Sulfatase from Pedobacter yulinensis . Molecules, 27, 2021
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4Y3L
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![BU of 4y3l by Molmil](/molmil-images/mine/4y3l) | Endothiapepsin in complex with fragment 205 | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | 登録日 | 2015-02-10 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Crystallographic Fragment Sreening of an Entire Library To Be Published
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6NRB
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![BU of 6nrb by Molmil](/molmil-images/mine/6nrb) | hTRiC-hPFD Class2 | 分子名称: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | 著者 | Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | 登録日 | 2019-01-23 | 公開日 | 2019-06-19 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (8.7 Å) | 主引用文献 | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis. Cell, 177, 2019
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8RJV
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![BU of 8rjv by Molmil](/molmil-images/mine/8rjv) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-21 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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6SW8
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![BU of 6sw8 by Molmil](/molmil-images/mine/6sw8) | Crystal structure of the NS1 (H7N1) RNA-binding domain | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Non-structural protein 1 | 著者 | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | 登録日 | 2019-09-20 | 公開日 | 2020-10-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.933 Å) | 主引用文献 | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
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