5DHI
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3OUN
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4DVV
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![BU of 4dvv by Molmil](/molmil-images/mine/4dvv) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AS-I-261 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | 著者 | Kwon, Y.D, Kwong, P.D. | 登録日 | 2012-02-23 | 公開日 | 2013-02-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site. Plos One, 9, 2014
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4DOP
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![BU of 4dop by Molmil](/molmil-images/mine/4dop) | Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, R mutant | 分子名称: | Cation efflux system protein CusA, Cation efflux system protein CusB | 著者 | Su, C.-C, Long, F, Yu, E. | 登録日 | 2012-02-10 | 公開日 | 2012-06-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | 主引用文献 | Charged Amino Acids (R83, E567, D617, E625, R669, and K678) of CusA Are Required for Metal Ion Transport in the Cus Efflux System. J.Mol.Biol., 422, 2012
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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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5DHK
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5DJP
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4CAW
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![BU of 4caw by Molmil](/molmil-images/mine/4caw) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | 分子名称: | 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | 著者 | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | 登録日 | 2013-10-09 | 公開日 | 2014-09-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus. Acs Chem.Biol., 10, 2015
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4CAX
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![BU of 4cax by Molmil](/molmil-images/mine/4cax) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646) | 分子名称: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | 著者 | Raimi, O.G, Robinson, D.A, Fang, W, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | 登録日 | 2013-10-09 | 公開日 | 2014-09-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus. Acs Chem.Biol., 10, 2015
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3PMH
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5D1W
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![BU of 5d1w by Molmil](/molmil-images/mine/5d1w) | Crystal structure of Mycobacterium tuberculosis Rv3249c transcriptional regulator. | 分子名称: | PALMITIC ACID, Rv3249c transcriptional regulator | 著者 | Chou, T.-H, Delmar, J, Su, C.-C, Yu, E. | 登録日 | 2015-08-04 | 公開日 | 2015-09-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.59 Å) | 主引用文献 | Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
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5DJV
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3MSJ
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![BU of 3msj by Molmil](/molmil-images/mine/3msj) | Structure of bace (beta secretase) in complex with inhibitor | 分子名称: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL | 著者 | Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R. | 登録日 | 2010-04-29 | 公開日 | 2010-07-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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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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4ZT5
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![BU of 4zt5 by Molmil](/molmil-images/mine/4zt5) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655) | 分子名称: | (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Koh, C.-Y, Hol, W.G.J. | 登録日 | 2015-05-14 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors. Acs Infect Dis., 2, 2016
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3O51
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![BU of 3o51 by Molmil](/molmil-images/mine/3o51) | Crystal structure of anthranilamide 10 bound to AuroraA | 分子名称: | N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 | 著者 | Huang, X. | 登録日 | 2010-07-27 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
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4ZZE
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![BU of 4zze by Molmil](/molmil-images/mine/4zze) | Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with panose | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Sugar binding protein of ABC transporter system, ... | 著者 | Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Hachem, M.A. | 登録日 | 2015-05-22 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates. J. Biol. Chem., 291, 2016
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3PIQ
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![BU of 3piq by Molmil](/molmil-images/mine/3piq) | Crystal structure of human 2909 Fab, a quaternary structure-specific antibody against HIV-1 | 分子名称: | Human monoclonal antibody 2909 Fab heavy chain, Human monoclonal antibody 2909 Fab light chain | 著者 | Changela, A, Gorny, M.K, Zolla-Pazner, S, Kwong, P.D. | 登録日 | 2010-11-07 | 公開日 | 2011-01-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.325 Å) | 主引用文献 | Crystal Structure of Human Antibody 2909 Reveals Conserved Features of Quaternary Structure-Specific Antibodies That Potently Neutralize HIV-1. J.Virol., 85, 2011
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5BK1
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5BQH
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![BU of 5bqh by Molmil](/molmil-images/mine/5bqh) | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | 分子名称: | (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... | 著者 | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | 登録日 | 2015-05-29 | 公開日 | 2016-04-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | 主引用文献 | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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5BTM
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5BVC
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5BQG
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![BU of 5bqg by Molmil](/molmil-images/mine/5bqg) | Crystal Structure of mPGES-1 Bound to an Inhibitor | 分子名称: | 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | 著者 | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | 登録日 | 2015-05-29 | 公開日 | 2016-04-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.436 Å) | 主引用文献 | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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4CI1
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![BU of 4ci1 by Molmil](/molmil-images/mine/4ci1) | Structure of the DDB1-CRBN E3 ubiquitin ligase bound to thalidomide | 分子名称: | DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Thalidomide, ... | 著者 | Fischer, E.S, Boehm, K, Thoma, N.H. | 登録日 | 2013-12-05 | 公開日 | 2014-07-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide. Nature, 512, 2014
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5BUH
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![BU of 5buh by Molmil](/molmil-images/mine/5buh) | Influenza PB2 bound to a hydroxymethyl azaindole inhibitor | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2015-06-03 | 公開日 | 2016-06-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza. ACS Med Chem Lett, 8, 2017
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