7BMB
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![BU of 7bmb by Molmil](/molmil-images/mine/7bmb) | Notum PPOH complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-prop-2-ynoxyphenyl)hexanoic acid, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2021-01-19 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Notum Inhibitor PPOH To Be Published
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7V6M
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7DMW
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![BU of 7dmw by Molmil](/molmil-images/mine/7dmw) | Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens | 分子名称: | CITRATE ANION, CcpC | 著者 | Chen, J, Wang, L, Shang, F, Liu, W, Chen, Y, Lan, J, Bu, T, Bai, X, Xu, Y. | 登録日 | 2020-12-08 | 公開日 | 2021-10-27 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Functional and structural analysis of catabolite control protein C that responds to citrate. Sci Rep, 11, 2021
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5Y8T
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![BU of 5y8t by Molmil](/molmil-images/mine/5y8t) | Crystal structure of Bacillus subtilis PadR in complex with p-coumaric acid | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Transcriptional regulator | 著者 | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | 登録日 | 2017-08-21 | 公開日 | 2017-11-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR. Nucleic Acids Res., 45, 2017
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5Z5H
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![BU of 5z5h by Molmil](/molmil-images/mine/5z5h) | Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with D-xylose | 分子名称: | Beta-xylosidase, CALCIUM ION, alpha-D-xylopyranose | 著者 | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | 登録日 | 2018-01-18 | 公開日 | 2018-04-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08. PLoS ONE, 13, 2018
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7WXX
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![BU of 7wxx by Molmil](/molmil-images/mine/7wxx) | Crystal structure of human MMP-7 in complex with inhibitor | 分子名称: | CALCIUM ION, Matrilysin, Peptide Inhibitor, ... | 著者 | Kamitani, M, Oka, Y, Tabuse, H. | 登録日 | 2022-02-15 | 公開日 | 2022-10-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of Highly Potent and Selective Matrix Metalloproteinase-7 Inhibitors by Hybridizing the S1' Subsite Binder with Short Peptides. J.Med.Chem., 65, 2022
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7VLB
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5Z5F
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![BU of 5z5f by Molmil](/molmil-images/mine/5z5f) | Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with L-arabinose | 分子名称: | Beta-xylosidase, CALCIUM ION, beta-L-arabinofuranose | 著者 | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | 登録日 | 2018-01-18 | 公開日 | 2018-04-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08. PLoS ONE, 13, 2018
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7W9Z
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![BU of 7w9z by Molmil](/molmil-images/mine/7w9z) | Crystal structure of Bacillus subtilis YugJ in complex with NADP and nitrate | 分子名称: | Iron-containing alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NITRATE ION | 著者 | Cho, H.Y, Nam, M.S, Hong, H.J, Song, W.S, Yoon, S.I. | 登録日 | 2021-12-11 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural and Biochemical Analysis of the Furan Aldehyde Reductase YugJ from Bacillus subtilis. Int J Mol Sci, 23, 2022
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5ZOB
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7W9X
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![BU of 7w9x by Molmil](/molmil-images/mine/7w9x) | Crystal structure of Bacillus subtilis YugJ in complex with nickel | 分子名称: | Iron-containing alcohol dehydrogenase, NICKEL (II) ION | 著者 | Cho, H.Y, Nam, M.S, Hong, H.J, Song, W.S, Yoon, S.I. | 登録日 | 2021-12-11 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | 主引用文献 | Structural and Biochemical Analysis of the Furan Aldehyde Reductase YugJ from Bacillus subtilis. Int J Mol Sci, 23, 2022
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7W9Y
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![BU of 7w9y by Molmil](/molmil-images/mine/7w9y) | Crystal structure of Bacillus subtilis YugJ in complex with NADP and nickel | 分子名称: | Iron-containing alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICKEL (II) ION | 著者 | Cho, H.Y, Nam, M.S, Hong, H.J, Song, W.S, Yoon, S.I. | 登録日 | 2021-12-11 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural and Biochemical Analysis of the Furan Aldehyde Reductase YugJ from Bacillus subtilis. Int J Mol Sci, 23, 2022
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5Z5D
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![BU of 5z5d by Molmil](/molmil-images/mine/5z5d) | Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 | 分子名称: | Beta-xylosidase, CALCIUM ION, GLYCEROL | 著者 | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | 登録日 | 2018-01-17 | 公開日 | 2018-04-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08. PLoS ONE, 13, 2018
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5Z5I
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![BU of 5z5i by Molmil](/molmil-images/mine/5z5i) | Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with L-arabinose and D-xylose | 分子名称: | Beta-xylosidase, CALCIUM ION, alpha-D-xylopyranose, ... | 著者 | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | 登録日 | 2018-01-18 | 公開日 | 2018-04-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08. PLoS ONE, 13, 2018
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6OPQ
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![BU of 6opq by Molmil](/molmil-images/mine/6opq) | CD4- and 17-bound HIV-1 Env B41 SOSIP frozen with LMNG | 分子名称: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | 登録日 | 2019-04-25 | 公開日 | 2020-10-21 | 最終更新日 | 2020-12-09 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide. Cell Rep, 33, 2020
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3DGA
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![BU of 3dga by Molmil](/molmil-images/mine/3dga) | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, ... | 著者 | Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S. | 登録日 | 2008-06-13 | 公開日 | 2009-01-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. Acs Chem.Biol., 4, 2009
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5PB1
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![BU of 5pb1 by Molmil](/molmil-images/mine/5pb1) | Crystal Structure of Factor VIIa in complex with benzenecarboximidamide | 分子名称: | BENZAMIDINE, CALCIUM ION, Coagulation factor VII heavy chain, ... | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | 登録日 | 2016-11-10 | 公開日 | 2017-06-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of a Factor VIIa complex To be published
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5XWZ
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![BU of 5xwz by Molmil](/molmil-images/mine/5xwz) | Crystal structure of a lactonase from Cladophialophora bantiana | 分子名称: | GLYCEROL, MALONATE ION, SODIUM ION, ... | 著者 | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2017-06-30 | 公開日 | 2018-05-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana Acta Crystallogr F Struct Biol Commun, 73, 2017
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6L7M
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1IAK
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5XMW
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![BU of 5xmw by Molmil](/molmil-images/mine/5xmw) | Selenomethionine-derivated ZHD | 分子名称: | Zearalenone lactonase | 著者 | Hu, X.J. | 登録日 | 2017-05-16 | 公開日 | 2018-04-25 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The structure of a complex of the lactonohydrolase zearalenone hydrolase with the hydrolysis product of zearalenone at 1.60 angstrom resolution Acta Crystallogr F Struct Biol Commun, 73, 2017
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4W51
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![BU of 4w51 by Molmil](/molmil-images/mine/4w51) | T4 Lysozyme L99A with No Ligand Bound | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin | 著者 | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | 登録日 | 2014-08-16 | 公開日 | 2015-04-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W53
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![BU of 4w53 by Molmil](/molmil-images/mine/4w53) | T4 Lysozyme L99A with Toluene Bound | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, TOLUENE | 著者 | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | 登録日 | 2014-08-16 | 公開日 | 2015-04-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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2XJJ
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![BU of 2xjj by Molmil](/molmil-images/mine/2xjj) | Structure of HSP90 with small molecule inhibitor bound | 分子名称: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-07-06 | 公開日 | 2010-08-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2XK2
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![BU of 2xk2 by Molmil](/molmil-images/mine/2xk2) | Structure of HSP90 with small molecule inhibitor bound | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-07-07 | 公開日 | 2010-09-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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