1U7Q
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![BU of 1u7q by Molmil](/molmil-images/mine/1u7q) | THE SOLUTION STRUCTURE OF THE NUCLEOTIDE BINDING DOMAIN OF KDPB | 分子名称: | Potassium-transporting ATPase B chain | 著者 | Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H. | 登録日 | 2004-08-04 | 公開日 | 2004-09-21 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Inter-domain motions of the N-domain of the KdpFABC complex, a P-type ATPase, are not driven by ATP-induced conformational changes. J.Mol.Biol., 342, 2004
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9EZY
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![BU of 9ezy by Molmil](/molmil-images/mine/9ezy) | Vibrio cholerae DdmD-DdmE holo complex | 分子名称: | 14 nucleotide DNA guide with terminal 5' phosphate, Helicase/UvrB N-terminal domain-containing protein, MAGNESIUM ION, ... | 著者 | Loeff, L, Jinek, M. | 登録日 | 2024-04-14 | 公開日 | 2024-09-04 | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | 主引用文献 | Molecular mechanism of plasmid elimination by the DdmDE defense system. Science, 385, 2024
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3MPV
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![BU of 3mpv by Molmil](/molmil-images/mine/3mpv) | Structure of EUTL in the zinc-induced open form | 分子名称: | BETA-MERCAPTOETHANOL, Ethanolamine utilization protein eutL, ZINC ION | 著者 | Sagermann, M, Takenoya, M, Nikolakakis, K. | 登録日 | 2010-04-27 | 公開日 | 2010-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystallographic insights into the pore structures and mechanisms of the EutL and EutM shell proteins of the ethanolamine-utilizing microcompartment of Escherichia coli. J.Bacteriol., 192, 2010
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2MYG
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![BU of 2myg by Molmil](/molmil-images/mine/2myg) | Solution structure of the dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei | 分子名称: | Dithiol glutaredoxin 1 | 著者 | Sturlese, M, Stefani, M, Manta, B, Mammi, S, Comini, M, Bellanda, M. | 登録日 | 2015-01-22 | 公開日 | 2016-02-10 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei To be Published
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6FJG
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![BU of 6fjg by Molmil](/molmil-images/mine/6fjg) | |
7ZX0
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![BU of 7zx0 by Molmil](/molmil-images/mine/7zx0) | Crystal structure of Pol theta polymerase domain in complex with compound 5 | 分子名称: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | 登録日 | 2022-05-19 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J.Med.Chem., 65, 2022
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8A4Q
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![BU of 8a4q by Molmil](/molmil-images/mine/8a4q) | crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | 登録日 | 2022-06-13 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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7ZUS
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![BU of 7zus by Molmil](/molmil-images/mine/7zus) | Crystal structure of ternary complex of Pol theta polymerase domain | 分子名称: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), DNA (5'-D(P*TP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), ... | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | 登録日 | 2022-05-13 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J.Med.Chem., 65, 2022
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7STF
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![BU of 7stf by Molmil](/molmil-images/mine/7stf) | Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2 | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | 著者 | Wright, K.M, Gabelli, S.B, Miller, M. | 登録日 | 2021-11-12 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen. Nat Commun, 14, 2023
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7ZX1
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![BU of 7zx1 by Molmil](/molmil-images/mine/7zx1) | Crystal structure of Pol theta polymerase domain in complex with compound 22 | 分子名称: | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | 登録日 | 2022-05-19 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.829 Å) | 主引用文献 | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J.Med.Chem., 65, 2022
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7NS2
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![BU of 7ns2 by Molmil](/molmil-images/mine/7ns2) | |
5FOL
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![BU of 5fol by Molmil](/molmil-images/mine/5fol) | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA) | 分子名称: | 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | 著者 | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | 登録日 | 2015-11-24 | 公開日 | 2016-08-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5FOM
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![BU of 5fom by Molmil](/molmil-images/mine/5fom) | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426 | 分子名称: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | 著者 | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | 登録日 | 2015-11-24 | 公開日 | 2016-08-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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2MXN
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![BU of 2mxn by Molmil](/molmil-images/mine/2mxn) | NMR Structure of the mature form of Trypanosoma brucei 1CGrx1 | 分子名称: | Mono-cysteine glutaredoxin | 著者 | Sturlese, M, Bertarello, A, Manta, B, Lelli, M, Mammi, S, Comini, M, Bellanda, M. | 登録日 | 2015-01-08 | 公開日 | 2016-01-27 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | The lineage-specific, intrinsically disordered N-terminal extension of monothiol glutaredoxin 1 from trypanosomes contains a regulatory region. Sci Rep, 8, 2018
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7TA8
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![BU of 7ta8 by Molmil](/molmil-images/mine/7ta8) | NMR structure of crosslinked cyclophilin A | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M. | 登録日 | 2021-12-20 | 公開日 | 2022-06-01 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink. J.Am.Chem.Soc., 144, 2022
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7T4V
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![BU of 7t4v by Molmil](/molmil-images/mine/7t4v) | Crystal Structure of cGMP-dependent Protein Kinase | 分子名称: | 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-methylbenzoic acid, CHLORIDE ION, cGMP-dependent protein kinase 1 | 著者 | Zebisch, M, Silvestre, L, Fischmann, T.O. | 登録日 | 2021-12-10 | 公開日 | 2023-06-14 | 最終更新日 | 2023-07-12 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Selective small molecule activation of PKG1alpha: structure and function Commun Biol, 2023
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5FGD
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1B4D
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![BU of 1b4d by Molmil](/molmil-images/mine/1b4d) | AMIDOCARBAMATE INHIBITOR OF GLYCOGEN PHOSPHORYLASE | 分子名称: | 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE B), ... | 著者 | Tsitsanou, K.E, Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Gregoriou, M, Watson, K.A, Johnson, L.N, Fleet, G.W.J. | 登録日 | 1998-12-18 | 公開日 | 1998-12-23 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Effects of commonly used cryoprotectants on glycogen phosphorylase activity and structure. Protein Sci., 8, 1999
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6STG
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![BU of 6stg by Molmil](/molmil-images/mine/6stg) | Human Rab8a phosphorylated at Ser111 in complex with GPPNP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. | 登録日 | 2019-09-10 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72. Biochem.J., 477, 2020
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1KM7
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![BU of 1km7 by Molmil](/molmil-images/mine/1km7) | Solution Structure and Backbone Dynamics of GABARAP, GABAA Receptor Associated Protein | 分子名称: | GABA(A) Receptor Associated Protein | 著者 | Kouno, T, Miura, K, Tada, M, Kanematsu, T, Tate, S, Shirakawa, M, Hirata, M, Kawano, K. | 登録日 | 2001-12-14 | 公開日 | 2003-10-07 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | 1H, 13C and '5N resonance assignments of GABARAP, GABAA receptor associated protein. J.Biomol.Nmr, 22, 2002
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7T4W
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![BU of 7t4w by Molmil](/molmil-images/mine/7t4w) | Crystal Structure of cGMP-dependent Protein Kinase | 分子名称: | (2R)-2-({(2S,3S)-1-[(1H-benzimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl}oxy)-2-(3,5-dichlorophenyl)ethan-1-ol, CHLORIDE ION, cGMP-dependent protein kinase 1 | 著者 | Zebisch, M, Silvestre, L, Fischmann, T.O. | 登録日 | 2021-12-10 | 公開日 | 2023-06-14 | 最終更新日 | 2023-07-12 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Selective small molecule activation of PKG1alpha: structure and function Commun Biol, 2023
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4LVK
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![BU of 4lvk by Molmil](/molmil-images/mine/4lvk) | MobM Relaxase Domain (MOBV; Mob_Pre) bound to plasmid pMV158 oriT DNA (22nt+3'Phosphate). Mn-bound crystal structure at pH 4.6 | 分子名称: | ACTTTAT oligonucleotide, ATAAAGTATAGTGTGpo oligonucleotide, MANGANESE (II) ION, ... | 著者 | Pluta, R, Boer, D.R, Coll, M. | 登録日 | 2013-07-26 | 公開日 | 2014-09-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural basis of a histidine-DNA nicking/joining mechanism for gene transfer and promiscuous spread of antibiotic resistance. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7T4U
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![BU of 7t4u by Molmil](/molmil-images/mine/7t4u) | |
7T4T
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![BU of 7t4t by Molmil](/molmil-images/mine/7t4t) | Crystal Structure of cGMP-dependent Protein Kinase | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | 著者 | Zebisch, M, Silvestre, L, Fischmann, T.O. | 登録日 | 2021-12-10 | 公開日 | 2023-06-14 | 最終更新日 | 2023-07-12 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Selective small molecule activation of PKG1alpha: structure and function Commun Biol, 2023
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7JPE
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![BU of 7jpe by Molmil](/molmil-images/mine/7jpe) | Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography | 分子名称: | 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ... | 著者 | Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-08-07 | 公開日 | 2020-08-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | 2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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