7ONS
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![BU of 7ons by Molmil](/molmil-images/mine/7ons) | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | 分子名称: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONT
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![BU of 7ont by Molmil](/molmil-images/mine/7ont) | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | 分子名称: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.853 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONR
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![BU of 7onr by Molmil](/molmil-images/mine/7onr) | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | 分子名称: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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4R4Z
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![BU of 4r4z by Molmil](/molmil-images/mine/4r4z) | Structure of PNGF-II in P21 space group | 分子名称: | PNGF-II | 著者 | Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L. | 登録日 | 2014-08-20 | 公開日 | 2015-01-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Identification and
Characterization of a Novel Prokaryotic Peptide: N-glycosidase from
Elizabethkingia meningoseptica J.Biol.Chem., 2015
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7P40
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![BU of 7p40 by Molmil](/molmil-images/mine/7p40) | P5C3 is a potent fab neutralizer | 分子名称: | Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL) | 著者 | perez, L. | 登録日 | 2021-07-09 | 公開日 | 2021-10-13 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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5N7F
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![BU of 5n7f by Molmil](/molmil-images/mine/5n7f) | MAGI-1 complexed with a pRSK1 peptide | 分子名称: | CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ... | 著者 | Gogl, G, Nyitray, L. | 登録日 | 2017-02-20 | 公開日 | 2017-11-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Dynamic control of RSK complexes by phosphoswitch-based regulation. FEBS J., 285, 2018
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8AXW
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![BU of 8axw by Molmil](/molmil-images/mine/8axw) | The structure of mouse AsterC (GramD1c) with Ezetimibe | 分子名称: | (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ... | 著者 | Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R. | 登録日 | 2022-09-01 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake. Science, 382, 2023
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4R99
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![BU of 4r99 by Molmil](/molmil-images/mine/4r99) | Crystal structure of a uricase from Bacillus fastidious | 分子名称: | SULFATE ION, Uricase | 著者 | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | 登録日 | 2014-09-03 | 公開日 | 2015-05-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions. Appl.Microbiol.Biotechnol., 99, 2015
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5CD5
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![BU of 5cd5 by Molmil](/molmil-images/mine/5cd5) | |
4R4X
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![BU of 4r4x by Molmil](/molmil-images/mine/4r4x) | Structure of PNGF-II in C2 space group | 分子名称: | PNGF-II, ZINC ION | 著者 | Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L. | 登録日 | 2014-08-20 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification and
Characterization of a Novel Prokaryotic Peptide: N-glycosidase from
Elizabethkingia meningoseptica J.Biol.Chem., 2015
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1YMU
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![BU of 1ymu by Molmil](/molmil-images/mine/1ymu) | |
1YMV
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5YVF
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![BU of 5yvf by Molmil](/molmil-images/mine/5yvf) | Crystal structure of BFA1 | 分子名称: | BFA1 | 著者 | Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L. | 登録日 | 2017-11-25 | 公開日 | 2018-08-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | 主引用文献 | Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1. Plant Cell, 30, 2018
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4R8X
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![BU of 4r8x by Molmil](/molmil-images/mine/4r8x) | Crystal structure of a uricase from Bacillus fastidious | 分子名称: | Uricase | 著者 | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | 登録日 | 2014-09-03 | 公開日 | 2015-05-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | 主引用文献 | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions. Appl.Microbiol.Biotechnol., 99, 2015
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2BVY
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![BU of 2bvy by Molmil](/molmil-images/mine/2bvy) | The structure and characterization of a modular endo-beta-1,4-mannanase from Cellulomonas fimi | 分子名称: | ACETATE ION, BETA-1,4-MANNANASE, CACODYLATE ION, ... | 著者 | Le Nours, J, Anderson, L, Stoll, D, Stalbrand, H, Lo Leggio, L. | 登録日 | 2005-07-04 | 公開日 | 2005-09-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The Structure and Characterization of a Modular Endo-Beta-1,4-Mannanase from Cellulomonas Fimi Biochemistry, 44, 2005
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5ACF
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![BU of 5acf by Molmil](/molmil-images/mine/5acf) | X-ray Structure of LPMO | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | 著者 | Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | 登録日 | 2015-08-17 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases. Nat. Chem. Biol., 12, 2016
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4RG8
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![BU of 4rg8 by Molmil](/molmil-images/mine/4rg8) | Structural and biochemical studies of a moderately thermophilic Exonuclease I from Methylocaldum szegediense | 分子名称: | Exonuclease I, MAGNESIUM ION | 著者 | Fei, L, Tian, S, Moysey, R, Misca, M, Barker, J.J, Smith, M.A, McEwan, P.A, Pilka, E.S, Crawley, L, Evans, T, Sun, D. | 登録日 | 2014-09-29 | 公開日 | 2015-02-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural and Biochemical Studies of a Moderately Thermophilic Exonuclease I from Methylocaldum szegediense. Plos One, 10, 2015
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2C7N
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![BU of 2c7n by Molmil](/molmil-images/mine/2c7n) | Human Rabex-5 residues 1-74 in complex with Ubiquitin | 分子名称: | RAB GUANINE NUCLEOTIDE EXCHANGE FACTOR 1, UBIQUITIN, ZINC ION | 著者 | Penengo, L, Mapelli, M, Murachelli, A.G, Confalioneri, S, Magri, L, Musacchio, A, Di Fiore, P.P, Polo, S, Schneider, T.R. | 登録日 | 2005-11-25 | 公開日 | 2006-02-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of the Ubiquitin Binding Domains of Rabex-5 Reveals Two Modes of Interaction with Ubiquitin. Cell(Cambridge,Mass.), 124, 2006
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5KO5
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![BU of 5ko5 by Molmil](/molmil-images/mine/5ko5) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine | 分子名称: | 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase | 著者 | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | 登録日 | 2016-06-29 | 公開日 | 2017-08-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
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5YVD
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7ZOK
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![BU of 7zok by Molmil](/molmil-images/mine/7zok) | A novel molecular switch controls assembly of bacterial focal adhesions in response to changes in surface structure. | 分子名称: | Adventurous gliding motility protein GltJ, ZINC ION | 著者 | Attia, B, My, L, Castaing, J.P, Le Guenno, H, Espinosa, L, Schmidt, V, Nouailler, M, Bornet, O, Mignot, T, Elantak, L. | 登録日 | 2022-04-25 | 公開日 | 2023-02-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | A novel molecular switch controls assembly of bacterial focal adhesions in response to changes in surface structure. To Be Published
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5N7G
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5JHH
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![BU of 5jhh by Molmil](/molmil-images/mine/5jhh) | Crystal structure of the ternary complex between the human RhoA, its inhibitor and the DH/PH domain of human ARHGEF11 | 分子名称: | 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid, GLYCEROL, Rho guanine nucleotide exchange factor 11, ... | 著者 | Lv, Z, Wang, R, Ma, L, Miao, Q, Wu, J, Yan, Z, Li, J, Miao, L, Wang, F. | 登録日 | 2016-04-21 | 公開日 | 2017-04-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and PDZRhoGEF To Be Published
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4WJA
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![BU of 4wja by Molmil](/molmil-images/mine/4wja) | Crystal Structure of PAXX | 分子名称: | Uncharacterized protein C9orf142 | 著者 | Xing, M, Yang, M, Huo, W, Feng, F, Wei, L, Ning, S, Yan, Z, Li, W, Wang, Q, Hou, M, Dong, C, Guo, R, Gao, G, Ji, J, Lan, L, Liang, H, Xu, D. | 登録日 | 2014-09-29 | 公開日 | 2015-03-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Interactome analysis identifies a new paralogue of XRCC4 in non-homologous end joining DNA repair pathway. Nat Commun, 6, 2015
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5LPU
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![BU of 5lpu by Molmil](/molmil-images/mine/5lpu) | Crystal structure of Annexin A2 complexed with S100A4 | 分子名称: | Annexin A2, CALCIUM ION, GLYCEROL, ... | 著者 | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | 登録日 | 2016-08-15 | 公開日 | 2017-07-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
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