5OJQ
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![BU of 5ojq by Molmil](/molmil-images/mine/5ojq) | The modeled structure of of wild type extended type VI secretion system sheath/tube complex in vibrio cholerae based on cryo-EM reconstruction of the non-contractile sheath/tube complex | 分子名称: | Haemolysin co-regulated protein, Type VI secretion protein, VipA | 著者 | Wang, J, Brackmann, M, Castano-Diez, D, Kudryashev, M, Goldie, K, Maier, T, Stahlberg, H, Basler, M. | 登録日 | 2017-07-22 | 公開日 | 2017-08-09 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structure of the extended type VI secretion system sheath-tube complex. Nat Microbiol, 2, 2017
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5NZT
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![BU of 5nzt by Molmil](/molmil-images/mine/5nzt) | The structure of the COPI coat linkage I | 分子名称: | ADP-ribosylation factor 1, Coatomer subunit alpha, Coatomer subunit beta, ... | 著者 | Dodonova, S.O, Aderhold, P, Kopp, J, Ganeva, I, Roehling, S, Hagen, W.J.H, Sinning, I, Wieland, F, Briggs, J.A.G. | 登録日 | 2017-05-15 | 公開日 | 2017-06-28 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (17 Å) | 主引用文献 | 9 angstrom structure of the COPI coat reveals that the Arf1 GTPase occupies two contrasting molecular environments. Elife, 6, 2017
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5OLC
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5NWT
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![BU of 5nwt by Molmil](/molmil-images/mine/5nwt) | Crystal Structure of Escherichia coli RNA polymerase - Sigma54 Holoenzyme complex | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Zhang, X, Buck, M, Darbari, V.C, Yang, Y, Zhang, N, Lu, D, Glyde, R, Wang, Y, Winkelman, J, Gourse, R.L, Murakami, K.S. | 登録日 | 2017-05-08 | 公開日 | 2017-09-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.76 Å) | 主引用文献 | TRANSCRIPTION. Structures of the RNA polymerase-Sigma54 reveal new and conserved regulatory strategies. Science, 349, 2015
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2VDY
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![BU of 2vdy by Molmil](/molmil-images/mine/2vdy) | Crystal structure of the reactive loop cleaved Corticosteroid Binding Globulin complexed with Cortisol | 分子名称: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, CORTICOSTEROID-BINDING GLOBULIN | 著者 | Zhou, A, Wei, Z, Read, R.J. | 登録日 | 2007-10-13 | 公開日 | 2008-05-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The S-to-R Transition of Corticosteroid-Binding Globulin and the Mechanism of Hormone Release. J.Mol.Biol., 380, 2008
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5NZV
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![BU of 5nzv by Molmil](/molmil-images/mine/5nzv) | The structure of the COPI coat linkage IV | 分子名称: | ADP-ribosylation factor 1, Coatomer subunit alpha, Coatomer subunit beta, ... | 著者 | Dodonova, S.O, Aderhold, P, Kopp, J, Ganeva, I, Roehling, S, Hagen, W.J.H, Sinning, I, Wieland, F, Briggs, J.A.G. | 登録日 | 2017-05-15 | 公開日 | 2017-06-28 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (17.299999 Å) | 主引用文献 | 9 angstrom structure of the COPI coat reveals that the Arf1 GTPase occupies two contrasting molecular environments. Elife, 6, 2017
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5O5O
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![BU of 5o5o by Molmil](/molmil-images/mine/5o5o) | X-ray crystal structure of RapZ from Escherichia coli (P32 space group) | 分子名称: | RNase adapter protein RapZ, SULFATE ION | 著者 | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | 登録日 | 2017-06-02 | 公開日 | 2017-08-30 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (3.404 Å) | 主引用文献 | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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5O3K
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5O03
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5PHK
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![BU of 5phk by Molmil](/molmil-images/mine/5phk) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09720a | 分子名称: | 1,2-ETHANEDIOL, BENZIMIDAZOLE, Lysine-specific demethylase 4D, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5PHG
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![BU of 5phg by Molmil](/molmil-images/mine/5phg) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09689a | 分子名称: | 1,2-ETHANEDIOL, 1-(4-fluorophenyl)thiourea, Lysine-specific demethylase 4D, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.398 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5OP6
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![BU of 5op6 by Molmil](/molmil-images/mine/5op6) | Factor Inhibiting HIF (FIH) in complex with zinc and GSK128863 | 分子名称: | 2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Thinnes, C.C, Lu, X. | 登録日 | 2017-08-09 | 公開日 | 2017-10-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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5OSB
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![BU of 5osb by Molmil](/molmil-images/mine/5osb) | GLIC-GABAAR alpha1 chimera crystallized in complex with THDOC at pH4.5 | 分子名称: | ACETATE ION, CHLORIDE ION, Proton-gated ion channel,Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, ... | 著者 | Laverty, D.C, Gold, M.G, Smart, T.G. | 登録日 | 2017-08-17 | 公開日 | 2017-10-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites. Nat. Struct. Mol. Biol., 24, 2017
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5OPC
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![BU of 5opc by Molmil](/molmil-images/mine/5opc) | Factor Inhibiting HIF (FIH) in complex with zinc and Vadadustat | 分子名称: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X, Zhang, D. | 登録日 | 2017-08-09 | 公開日 | 2017-10-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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5OFO
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![BU of 5ofo by Molmil](/molmil-images/mine/5ofo) | Cryo EM structure of the E. coli disaggregase ClpB (BAP form, DWB mutant), in the ATPgammaS state, bound to the model substrate casein | 分子名称: | Chaperone protein ClpB,ATP-dependent Clp protease ATP-binding subunit ClpA,Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | 著者 | Deville, C, Carroni, M, Franke, K.B, Topf, M, Bukau, B, Mogk, A, Saibil, H.R. | 登録日 | 2017-07-11 | 公開日 | 2017-08-16 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Structural pathway of regulated substrate transfer and threading through an Hsp100 disaggregase. Sci Adv, 3, 2017
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5OHE
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![BU of 5ohe by Molmil](/molmil-images/mine/5ohe) | Globin sensor domain of AfGcHK (FeIII form) in complex with cyanide | 分子名称: | CHLORIDE ION, CYANIDE ION, Globin-coupled histidine kinase, ... | 著者 | Skalova, T, Kolenko, P, Dohnalek, J, Stranava, M, Martinkova, M. | 登録日 | 2017-07-16 | 公開日 | 2017-11-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Coordination and redox state-dependent structural changes of the heme-based oxygen sensor AfGcHK associated with intraprotein signal transduction. J. Biol. Chem., 292, 2017
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5OHJ
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![BU of 5ohj by Molmil](/molmil-images/mine/5ohj) | Human phosphodiesterase 4B catalytic domain in complex with a pyrrolidinyl inhibitor. | 分子名称: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate, ... | 著者 | Rizzi, A, Carzaniga, L, Armani, E. | 登録日 | 2017-07-17 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives as Inhaled PDE4 Inhibitors for Respiratory Diseases. J. Med. Chem., 60, 2017
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5Q0U
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![BU of 5q0u by Molmil](/molmil-images/mine/5q0u) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate | 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 (1.9 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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5Q0O
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![BU of 5q0o by Molmil](/molmil-images/mine/5q0o) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide, Bile acid receptor, CHLORIDE ION, ... | 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 (1.9 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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5Q14
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![BU of 5q14 by Molmil](/molmil-images/mine/5q14) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid, 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 (1.85 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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5Q1C
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![BU of 5q1c by Molmil](/molmil-images/mine/5q1c) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)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 | 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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5Q0L
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![BU of 5q0l by Molmil](/molmil-images/mine/5q0l) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)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 | 2023-11-15 | 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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5Q0Y
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![BU of 5q0y by Molmil](/molmil-images/mine/5q0y) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-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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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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5OP8
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![BU of 5op8 by Molmil](/molmil-images/mine/5op8) | Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat | 分子名称: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X. | 登録日 | 2017-08-09 | 公開日 | 2017-10-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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