1NE5
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![BU of 1ne5 by Molmil](/molmil-images/mine/1ne5) | Solution Structure of HERG Specific Scorpion Toxin CnErg1 | 分子名称: | ergtoxin | 著者 | Torres, A.M, Paramjit, B, Alewood, P, Kuchel, P.W, Vandenberg, J.I. | 登録日 | 2002-12-10 | 公開日 | 2003-04-01 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of CnErg1 (Ergtoxin), a HERG specific scorpion toxin FEBS Lett., 539, 2003
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2INY
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7SR6
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![BU of 7sr6 by Molmil](/molmil-images/mine/7sr6) | Human Endogenous Retrovirus (HERV-K) reverse transcriptase ternary complex with dsDNA template Primer and dNTP | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | 著者 | Baldwin, E.T, Nichols, C. | 登録日 | 2021-11-08 | 公開日 | 2022-07-20 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Human endogenous retrovirus-K (HERV-K) reverse transcriptase (RT) structure and biochemistry reveals remarkable similarities to HIV-1 RT and opportunities for HERV-K-specific inhibition. Proc.Natl.Acad.Sci.USA, 119, 2022
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6G87
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![BU of 6g87 by Molmil](/molmil-images/mine/6g87) | Flavonoid-responsive Regulator FrrA | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TetR/AcrR family transcriptional regulator | 著者 | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | 登録日 | 2018-04-07 | 公開日 | 2019-04-24 | 最終更新日 | 2021-08-18 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | The induction mechanism of the flavonoid-responsive regulator FrrA. Febs J., 2021
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7FEH
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![BU of 7feh by Molmil](/molmil-images/mine/7feh) | Crystal structure of human DDR1 in complex with CH5541127 | 分子名称: | Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION | 著者 | Fukami, T.A, Kadono, S, Matsuura, T. | 登録日 | 2021-07-20 | 公開日 | 2022-07-27 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Novel potent and highly selective DDR1 inhibitors from integrated lead finding Medicinal Chemistry Research, 32, 2023
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6G8H
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![BU of 6g8h by Molmil](/molmil-images/mine/6g8h) | Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NARINGENIN, R-naringenin, ... | 著者 | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | 登録日 | 2018-04-08 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The induction mechanism of the flavonoid-responsive regulator FrrA. Febs J., 2021
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6G8G
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![BU of 6g8g by Molmil](/molmil-images/mine/6g8g) | Flavonoid-responsive Regulator FrrA in complex with Genistein | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GENISTEIN, TetR/AcrR family transcriptional regulator | 著者 | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | 登録日 | 2018-04-08 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The induction mechanism of the flavonoid-responsive regulator FrrA. Febs J., 2021
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9AT8
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![BU of 9at8 by Molmil](/molmil-images/mine/9at8) | Fab 77-stabilized MeV F ectodomain fragment | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, mAB 77 heavy chain, ... | 著者 | Zyla, D, Saphire, E.O. | 登録日 | 2024-02-26 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | A neutralizing antibody prevents postfusion transition of measles virus fusion protein. Science, 384, 2024
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5LO5
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![BU of 5lo5 by Molmil](/molmil-images/mine/5lo5) | HSP90 WITH indole derivative | 分子名称: | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile, Heat shock protein HSP 90-alpha | 著者 | Graedler, U, Amaral, M. | 登録日 | 2016-08-08 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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2MCP
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6ZWT
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![BU of 6zwt by Molmil](/molmil-images/mine/6zwt) | Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A. | 登録日 | 2020-07-28 | 公開日 | 2021-08-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis. Virulence, 13, 2022
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8GLV
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![BU of 8glv by Molmil](/molmil-images/mine/8glv) | |
5V37
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![BU of 5v37 by Molmil](/molmil-images/mine/5v37) | Crystal structure of SMYD3 with SAM and EPZ028862 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2017-03-06 | 公開日 | 2018-03-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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5DIQ
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![BU of 5diq by Molmil](/molmil-images/mine/5diq) | Crystal structure of human FPPS in complex with salicylic acid derivative 3a | 分子名称: | 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | 著者 | Rondeau, J.M, Bourgier, E, Lehmann, S. | 登録日 | 2015-09-01 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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5LO6
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![BU of 5lo6 by Molmil](/molmil-images/mine/5lo6) | HSP90 WITH indazole derivative | 分子名称: | 3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide, Heat shock protein HSP 90-alpha | 著者 | Graedler, U, Amaral, M. | 登録日 | 2016-08-08 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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5DJV
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5DJR
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![BU of 5djr by Molmil](/molmil-images/mine/5djr) | Crystal structure of human FPPS in complex with biaryl compound 6 | 分子名称: | 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | 著者 | Rondeau, J.M, Bourgier, E, Lehmann, S. | 登録日 | 2015-09-02 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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3R0T
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![BU of 3r0t by Molmil](/molmil-images/mine/3r0t) | Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279 | 分子名称: | 1,2-ETHANEDIOL, 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, ... | 著者 | Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M. | 登録日 | 2011-03-09 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer. Biochemistry, 50, 2011
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5V3H
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![BU of 5v3h by Molmil](/molmil-images/mine/5v3h) | Crystal structure of SMYD2 with SAM and EPZ033294 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2017-03-07 | 公開日 | 2018-04-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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1ZTO
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![BU of 1zto by Molmil](/molmil-images/mine/1zto) | INACTIVATION GATE OF POTASSIUM CHANNEL RCK4, NMR, 8 STRUCTURES | 分子名称: | POTASSIUM CHANNEL PROTEIN RCK4 | 著者 | Antz, C, Geyer, M, Fakler, B, Schott, M, Frank, R, Guy, H.R, Ruppersberg, J.P, Kalbitzer, H.R. | 登録日 | 1996-11-15 | 公開日 | 1997-06-05 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of inactivation gates from mammalian voltage-dependent potassium channels. Nature, 385, 1997
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4ATI
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![BU of 4ati by Molmil](/molmil-images/mine/4ati) | MITF:M-box complex | 分子名称: | 5'-D(*AP*GP*GP*GP*TP*CP*AP*TP*GP*TP*GP*CP*TP*AP*AP*C)-3', 5'-D(*GP*TP*TP*AP*GP*CP*AP*CP*AP*TP*GP*AP*CP*CP*CP*T)-3', MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR | 著者 | Pogenberg, V, Deineko, V, Wilmanns, M. | 登録日 | 2012-05-08 | 公開日 | 2012-12-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf Genes Dev., 26, 2012
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4ATH
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![BU of 4ath by Molmil](/molmil-images/mine/4ath) | MITF apo structure | 分子名称: | MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR, SULFATE ION | 著者 | Pogenberg, V, Milewski, M, Wilmanns, M. | 登録日 | 2012-05-08 | 公開日 | 2012-12-12 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf Genes Dev., 26, 2012
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1ZTN
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![BU of 1ztn by Molmil](/molmil-images/mine/1ztn) | INACTIVATION GATE OF POTASSIUM CHANNEL RAW3, NMR, 8 STRUCTURES | 分子名称: | Potassium voltage-gated channel subfamily C member 4 | 著者 | Antz, C, Geyer, M, Fakler, B, Schott, M, Frank, R, Guy, H.R, Ruppersberg, J.P, Kalbitzer, H.R. | 登録日 | 1996-11-15 | 公開日 | 1997-06-05 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of inactivation gates from mammalian voltage-dependent potassium channels. Nature, 385, 1997
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1AYN
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![BU of 1ayn by Molmil](/molmil-images/mine/1ayn) | HUMAN RHINOVIRUS 16 COAT PROTEIN | 分子名称: | HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ... | 著者 | Hadfield, A.T, Oliveira, M.A, Zhao, R, Rossmann, M.G. | 登録日 | 1997-11-06 | 公開日 | 1998-01-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The structure of human rhinovirus 16. Structure, 1, 1993
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1AYM
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