2XX3
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4AV4
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![BU of 4av4 by Molmil](/molmil-images/mine/4av4) | FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl pyridine | Descriptor: | 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside, FIMH | Authors: | Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R. | Deposit date: | 2012-05-23 | Release date: | 2012-06-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh. Biochemistry, 51, 2012
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2WYF
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![BU of 2wyf by Molmil](/molmil-images/mine/2wyf) | Crystal structure of PA-IL lectin complexed with aGal12bGal-O-Met at 2.4 A resolution | Descriptor: | CALCIUM ION, PA-I GALACTOPHILIC LECTIN, alpha-D-galactopyranose, ... | Authors: | Nurisso, A, Blanchard, B, Varrot, A, Imberty, A. | Deposit date: | 2009-11-16 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Role of Water Molecules in Structure and Energetics of Pseudomonas Aeruginosa Lectin I Interacting with Disaccharides. J.Biol.Chem., 285, 2010
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2XH6
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![BU of 2xh6 by Molmil](/molmil-images/mine/2xh6) | Clostridium perfringens enterotoxin | Descriptor: | 1,4-DIETHYLENE DIOXIDE, HEAT-LABILE ENTEROTOXIN B CHAIN, octyl beta-D-glucopyranoside | Authors: | Briggs, D.C, Naylor, C.E, Smedley III, J.G, MCClane, B.A, Basak, A.K. | Deposit date: | 2010-06-09 | Release date: | 2011-04-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structure of the Food-Poisoning Clostridium Perfringens Enterotoxin Reveals Similarity to the Aerolysin-Like Pore-Forming Toxins J.Mol.Biol., 413, 2011
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2YHJ
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![BU of 2yhj by Molmil](/molmil-images/mine/2yhj) | Clostridium perfringens Enterotoxin at 4.0 Angstrom Resolution | Descriptor: | HEAT-LABILE ENTEROTOXIN B CHAIN | Authors: | Briggs, D.C, Naylor, C.E, Smedley III, J.G, McClane, B.A, Basak, A.K. | Deposit date: | 2011-05-03 | Release date: | 2011-08-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structure of the Food-Poisoning Clostridium Perfringens Enterotoxin Reveals Similarity to the Aerolysin-Like Pore-Forming Toxins J.Mol.Biol., 413, 2011
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3JY9
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![BU of 3jy9 by Molmil](/molmil-images/mine/3jy9) | Janus Kinase 2 Inhibitors | Descriptor: | (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-09-21 | Release date: | 2009-12-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole. J.Med.Chem., 52, 2009
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7K9U
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![BU of 7k9u by Molmil](/molmil-images/mine/7k9u) | Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00429 | Descriptor: | (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone, Hsp90-like protein | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2020-09-29 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J.Med.Chem., 64, 2021
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7K9V
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![BU of 7k9v by Molmil](/molmil-images/mine/7k9v) | Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452 | Descriptor: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2020-09-29 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J.Med.Chem., 64, 2021
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1GP7
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1IKX
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7K9R
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![BU of 7k9r by Molmil](/molmil-images/mine/7k9r) | Cryptococcus neoformans Hsp90 nucleotide binding domain | Descriptor: | CHLORIDE ION, Hsp90-like protein | Authors: | Kuntz, D.A, Kenney, T, Prive, G.G. | Deposit date: | 2020-09-29 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J.Med.Chem., 64, 2021
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7K9S
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![BU of 7k9s by Molmil](/molmil-images/mine/7k9s) | Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with NVP-AUY922 | Descriptor: | 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Hsp90-like protein | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2020-09-29 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J.Med.Chem., 64, 2021
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1IKY
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![BU of 1iky by Molmil](/molmil-images/mine/1iky) | HIV-1 Reverse Transcriptase in Complex with the Inhibitor MSC194 | Descriptor: | 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA, POL POLYPROTEIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2001-05-07 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant. Eur.J.Biochem., 269, 2002
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7K9W
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![BU of 7k9w by Molmil](/molmil-images/mine/7k9w) | Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00461 | Descriptor: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2020-09-29 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J.Med.Chem., 64, 2021
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2MTO
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![BU of 2mto by Molmil](/molmil-images/mine/2mto) | Non-reducible analogues of alpha-conotoxin RgIA: [2,8]-cis dicarba RgIA | Descriptor: | Alpha-conotoxin RgIA | Authors: | Chhabra, S, Robinson, S, Norton, R. | Deposit date: | 2014-08-26 | Release date: | 2014-11-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets. J.Med.Chem., 57, 2014
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7M98
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![BU of 7m98 by Molmil](/molmil-images/mine/7m98) | ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4 | Authors: | Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C. | Deposit date: | 2021-03-30 | Release date: | 2021-09-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain. Int J Mol Sci, 22, 2021
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1IKV
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![BU of 1ikv by Molmil](/molmil-images/mine/1ikv) | K103N Mutant HIV-1 Reverse Transcriptase in Complex with Efivarenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2001-05-07 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant. Eur.J.Biochem., 269, 2002
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1JIA
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1IKW
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![BU of 1ikw by Molmil](/molmil-images/mine/1ikw) | Wild Type HIV-1 Reverse Transcriptase in Complex with Efavirenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2001-05-07 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant. Eur.J.Biochem., 269, 2002
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4NXO
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![BU of 4nxo by Molmil](/molmil-images/mine/4nxo) | Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768 | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W. | Deposit date: | 2013-12-09 | Release date: | 2015-10-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice. Nat Commun, 6, 2015
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4OGX
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![BU of 4ogx by Molmil](/molmil-images/mine/4ogx) | Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution | Descriptor: | DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ... | Authors: | Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. | Deposit date: | 2014-01-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibition of plasma kallikrein by a highly specific active site blocking antibody. J.Biol.Chem., 289, 2014
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3NWV
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![BU of 3nwv by Molmil](/molmil-images/mine/3nwv) | Human cytochrome c G41S | Descriptor: | Cytochrome c, HEME C | Authors: | Fagerlund, R.D, Wilbanks, S.M. | Deposit date: | 2010-07-11 | Release date: | 2011-03-09 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Proapoptotic G41S Mutation to Human Cytochrome c Alters the Heme Electronic Structure and Increases the Electron Self-Exchange Rate. J.Am.Chem.Soc., 133, 2011
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3NZ0
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![BU of 3nz0 by Molmil](/molmil-images/mine/3nz0) | Non-phosphorylated TYK2 kinase with CMP6 | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2010-07-15 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011
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4OGY
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![BU of 4ogy by Molmil](/molmil-images/mine/4ogy) | Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ... | Authors: | Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. | Deposit date: | 2014-01-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of plasma kallikrein by a highly specific active site blocking antibody. J.Biol.Chem., 289, 2014
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2F6L
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![BU of 2f6l by Molmil](/molmil-images/mine/2f6l) | X-ray structure of Chorismate Mutase from Mycobacterium Tuberculosis | Descriptor: | Chorismate mutase | Authors: | Kim, S.K, Howard, A.J, Gilliland, G.L, Reddy, P.T, Ladner, J.E. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and structural characterization of the secreted chorismate mutase (Rv1885c) from Mycobacterium tuberculosis H37Rv: an *AroQ enzyme not regulated by the aromatic amino acids. J.Bacteriol., 188, 2006
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