5Q1F
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![BU of 5q1f by Molmil](/molmil-images/mine/5q1f) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5VNF
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4OJL
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5Q0S
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![BU of 5q0s by Molmil](/molmil-images/mine/5q0s) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q1H
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![BU of 5q1h by Molmil](/molmil-images/mine/5q1h) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5VNL
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4P59
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![BU of 4p59 by Molmil](/molmil-images/mine/4p59) | HER3 extracellular domain in complex with Fab fragment of MOR09825 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MOR09825 Fab fragment heavy chain, ... | 著者 | Sprague, E.R. | 登録日 | 2014-03-15 | 公開日 | 2014-04-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | An antibody that locks HER3 in the inactive conformation inhibits tumor growth driven by HER2 or neuregulin. Cancer Res., 73, 2013
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4NJ9
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![BU of 4nj9 by Molmil](/molmil-images/mine/4nj9) | Crystal structure of Fab 8B10 in complex with MPTS | 分子名称: | 8-methoxypyrene-1,3,6-trisulfonic acid, 8B10 heavy chain, 8B10 light chain, ... | 著者 | Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A. | 登録日 | 2013-11-08 | 公開日 | 2014-11-12 | 最終更新日 | 2017-06-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation. Biochemistry, 54, 2015
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4NFI
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![BU of 4nfi by Molmil](/molmil-images/mine/4nfi) | Crystal structure of human FPPS in complex with magnesium and JDS05120 | 分子名称: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) | 著者 | Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M. | 登録日 | 2013-10-31 | 公開日 | 2014-12-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase. PLoS ONE, 12, 2017
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4NCT
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![BU of 4nct by Molmil](/molmil-images/mine/4nct) | Human DYRK1A in complex with PKC412 | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PKC412 | 著者 | Alexeeva, M.O, Rothweiler, U. | 登録日 | 2013-10-25 | 公開日 | 2015-04-01 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.597 Å) | 主引用文献 | The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine. Acta Crystallogr.,Sect.D, 71, 2015
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4NUZ
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![BU of 4nuz by Molmil](/molmil-images/mine/4nuz) | Crystal structure of a glycosynthase mutant (D233Q) of EndoS, an endo-beta-N-acetyl-glucosaminidase from Streptococcus pyogenes | 分子名称: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase F2 | 著者 | Trastoy, B, Guenther, S, Snyder, G.A, Sundberg, E.J. | 登録日 | 2013-12-04 | 公開日 | 2014-04-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | 主引用文献 | Crystal structure of Streptococcus pyogenes EndoS, an immunomodulatory endoglycosidase specific for human IgG antibodies. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P57
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![BU of 4p57 by Molmil](/molmil-images/mine/4p57) | MHC TCR peptide complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | 著者 | Clayton, G.M, Crawford, F, Kappler, J.W. | 登録日 | 2014-03-14 | 公開日 | 2014-07-16 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity. Cell, 158, 2014
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4P37
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![BU of 4p37 by Molmil](/molmil-images/mine/4p37) | Crystal structure of the Megavirus polyadenylate synthase | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Priet, S, Lartigue, A, Claverie, J.M, Abergel, C. | 登録日 | 2014-03-06 | 公開日 | 2015-04-01 | 最終更新日 | 2015-04-29 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | mRNA maturation in giant viruses: variation on a theme. Nucleic Acids Res., 43, 2015
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4LR2
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![BU of 4lr2 by Molmil](/molmil-images/mine/4lr2) | Crystal Structure of Human ENPP4 (apo) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bis(5'-adenosyl)-triphosphatase ENPP4, ... | 著者 | Albright, R.A, Braddock, D.T. | 登録日 | 2013-07-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke. J.Biol.Chem., 289, 2014
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4M3X
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4M18
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![BU of 4m18 by Molmil](/molmil-images/mine/4m18) | Crystal Structure of Surfactant Protein-D D325A/R343V mutant in complex with trimannose (Man-a1,2Man-a1,2Man) | 分子名称: | CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | 著者 | Goh, B.C, Rynkiewicz, M.J, Cafarella, T.R, White, M.R, Hartshorn, K.L, Allen, K, Crouch, E.C, Calin, O, Seeberger, P.H, Schulten, K, Seaton, B.A. | 登録日 | 2013-08-02 | 公開日 | 2013-12-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.203 Å) | 主引用文献 | Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation. Biochemistry, 52, 2013
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4M42
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4PF0
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![BU of 4pf0 by Molmil](/molmil-images/mine/4pf0) | Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminarihexaose | 分子名称: | 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | 著者 | Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G. | 登録日 | 2014-04-25 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Active site and laminarin binding in glycoside hydrolase family 55. J.Biol.Chem., 290, 2015
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3T06
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5TXD
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5TXH
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5NYW
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![BU of 5nyw by Molmil](/molmil-images/mine/5nyw) | Anbu (ancestral beta-subunit) from Yersinia bercovieri | 分子名称: | 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ... | 著者 | Piasecka, A, Czapinska, H, Vielberg, M, Szczepanowski, R.H, Reed, S, Groll, M, Bochtler, M. | 登録日 | 2017-05-12 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | The Y. bercovieri Anbu crystal structure sheds light on the evolution of highly (pseudo)symmetric multimers. J. Mol. Biol., 430, 2018
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5SZ0
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![BU of 5sz0 by Molmil](/molmil-images/mine/5sz0) | Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide | 分子名称: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | 登録日 | 2016-08-12 | 公開日 | 2016-12-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5TCP
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![BU of 5tcp by Molmil](/molmil-images/mine/5tcp) | Near-atomic resolution cryo-EM structure of the periplasmic domains of PrgH and PrgK | 分子名称: | Lipoprotein PrgK, Protein PrgH | 著者 | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | 登録日 | 2016-09-15 | 公開日 | 2016-12-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body. Nature, 540, 2016
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5V91
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![BU of 5v91 by Molmil](/molmil-images/mine/5v91) | Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae | 分子名称: | Fosfomycin resistance protein, ZINC ION | 著者 | Klontz, E, Guenther, S, Silverstein, Z, Sundberg, E. | 登録日 | 2017-03-22 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli. Antimicrob. Agents Chemother., 61, 2017
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