2WI4
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![BU of 2wi4 by Molmil](/molmil-images/mine/2wi4) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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1UVC
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![BU of 1uvc by Molmil](/molmil-images/mine/1uvc) | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza sativa | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN, STEARIC ACID | Authors: | Cheng, H.-C, Cheng, P.-T, Peng, P, Lyu, P.-C, Sun, Y.-J. | Deposit date: | 2004-01-19 | Release date: | 2004-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza Sativa Protein Sci., 13, 2004
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1UVA
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![BU of 1uva by Molmil](/molmil-images/mine/1uva) | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza sativa | Descriptor: | MYRISTIC ACID, NONSPECIFIC LIPID TRANSFER PROTEIN 1 | Authors: | Cheng, H.-C, Cheng, P.-T, Peng, P, Lyu, P.-C, Sun, Y.-J. | Deposit date: | 2004-01-19 | Release date: | 2004-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza Sativa Protein Sci., 13, 2004
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1UVB
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![BU of 1uvb by Molmil](/molmil-images/mine/1uvb) | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza sativa | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN, PALMITOLEIC ACID | Authors: | Cheng, H.-C, Cheng, P.-T, Peng, P, Lyu, P.-C, Sun, Y.-J. | Deposit date: | 2004-01-19 | Release date: | 2004-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza Sativa Protein Sci., 13, 2004
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1AIE
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![BU of 1aie by Molmil](/molmil-images/mine/1aie) | |
2B37
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![BU of 2b37 by Molmil](/molmil-images/mine/2b37) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-octyl-2-phenoxyphenol | Descriptor: | 5-OCTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | Deposit date: | 2005-09-19 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
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2FHS
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![BU of 2fhs by Molmil](/molmil-images/mine/2fhs) | Structure of Acyl Carrier Protein Bound to FabI, the Enoyl Reductase from Escherichia Coli | Descriptor: | Acyl carrier protein, enoyl-[acyl-carrier-protein] reductase, NADH-dependent | Authors: | Kolappan, S, Novichenok, P, Rafi, S, Simmerling, C, Tonge, P.J, Kisker, C. | Deposit date: | 2005-12-27 | Release date: | 2006-10-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Acyl Carrier Protein Bound to FabI, the FASII Enoyl Reductase from Escherichia coli. J.Biol.Chem., 281, 2006
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2B35
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![BU of 2b35 by Molmil](/molmil-images/mine/2b35) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by triclosan | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | Deposit date: | 2005-09-19 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
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2B36
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![BU of 2b36 by Molmil](/molmil-images/mine/2b36) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-pentyl-2-phenoxyphenol | Descriptor: | 5-PENTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | Deposit date: | 2005-09-19 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
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2JD4
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![BU of 2jd4 by Molmil](/molmil-images/mine/2jd4) | Mouse laminin alpha1 chain, domains LG4-5 | Descriptor: | CHLORIDE ION, LAMININ SUBUNIT ALPHA-1, MAGNESIUM ION | Authors: | Harrison, D, Hussain, S.A, Combs, A.C, Ervasti, J.M, Yurchenco, P.D, Hohenester, E. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure and Cell Surface Anchorage Sites of Laminin {Alpha}1Lg4-5. J.Biol.Chem., 282, 2007
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3T4G
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![BU of 3t4g by Molmil](/molmil-images/mine/3t4g) | AIIGLMV segment from Alzheimer's Amyloid-Beta displayed on 54-membered macrocycle scaffold | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide (ORN)AIIGLMV(ORN)KF(HAO)(4BF)K | Authors: | Zhao, M, Liu, C, Cheng, P.N, Eisenberg, D, Nowick, J.S. | Deposit date: | 2011-07-26 | Release date: | 2012-10-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Amyloid beta-sheet mimics that antagonize protein aggregation and reduce amyloid toxicity. Nat Chem, 4, 2012
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2BHR
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![BU of 2bhr by Molmil](/molmil-images/mine/2bhr) | Dengue virus RNA helicase | Descriptor: | RNA HELICASE, SULFATE ION | Authors: | Xu, T, Sampath, A, Chao, A, Wen, D, Nanao, M, Chene, P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2005-01-17 | Release date: | 2005-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Dengue Virus Helicase/Nucleoside Triphosphatase Catalytic Domain at a Resolution of 2.4 A. J.Virol., 79, 2005
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2BMF
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![BU of 2bmf by Molmil](/molmil-images/mine/2bmf) | Dengue virus RNA helicase at 2.4A | Descriptor: | RNA HELICASE | Authors: | Xu, T, Sampath, A, Chao, A, Wen, D, Nanao, M, Chene, P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2005-03-14 | Release date: | 2005-08-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure of the Dengue Virus Helicase/Nucleoside Triphosphatase Catalytic Domain at a Resolution of 2.4 A. J.Virol., 79, 2005
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3Q9I
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![BU of 3q9i by Molmil](/molmil-images/mine/3q9i) | LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold, bromide derivative | Descriptor: | CHLORIDE ION, Cyclic pseudo-peptide LV(4BF)FA(ORN)(HAO)LK(ORN), GLYCEROL, ... | Authors: | Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J. | Deposit date: | 2011-01-07 | Release date: | 2011-06-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics. J.Am.Chem.Soc., 133, 2011
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3Q9J
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![BU of 3q9j by Molmil](/molmil-images/mine/3q9j) | AIIFL segment derived from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold | Descriptor: | CHLORIDE ION, Cyclic pseudo-peptide AIIFL(ORN)(HAO)YK(ORN), GLYCEROL, ... | Authors: | Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J. | Deposit date: | 2011-01-07 | Release date: | 2011-06-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics. J.Am.Chem.Soc., 133, 2011
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3Q9H
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![BU of 3q9h by Molmil](/molmil-images/mine/3q9h) | LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold | Descriptor: | 1,4-BUTANEDIOL, Cyclic pseudo-peptide LVFFA(ORN)(HAO)LK(ORN), GLYCEROL, ... | Authors: | Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J. | Deposit date: | 2011-01-07 | Release date: | 2011-06-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics. J.Am.Chem.Soc., 133, 2011
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3Q9G
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![BU of 3q9g by Molmil](/molmil-images/mine/3q9g) | VQIVY segment from Alzheimer's tau displayed on 42-membered macrocycle scaffold | Descriptor: | ACETIC ACID, Cyclic pseudo-peptide VQIV(4BF)(ORN)(HAO)KL(ORN), GLYCEROL | Authors: | Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J. | Deposit date: | 2011-01-07 | Release date: | 2011-06-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics. J.Am.Chem.Soc., 133, 2011
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