Crystallography Open Database

Result : There are 14 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching journal of publication like 'ACS chemical biology'

COD ID: 4500087
CIF file Formula: - C21 H28 Cl N O5 -
Comments: Day, James E. H.; Sharp, Swee Y.; Rowlands, Martin G.; Aherne, Wynne; Hayes, Angela; Raynaud, Florence I.; Lewis, William; Roe, S. Mark; Prodromou, Chrisostomos; Pearl, Laurence H.; Workman, Paul; Moody, Christopher J. Targeting the Hsp90 molecular chaperone with novel macrolactams. Synthesis, structural, binding, and cellular studies. ACS chemical biology 6(12) (2011) 1339-1347
Space group: P -1
Cell volume: 2071.4
Cell parameters: 11.859; 12.047; 16.767; 70.009; 74.84; 68.7;  

COD ID: 4510217
CIF file Formula: - C38 H45 Br Cl6 N O8 P -
Comments: Pathak, Rakesh K.; Marrache, Sean; Harn, Donald A.; Dhar, Shanta Mito-DCA: A Mitochondria Targeted Molecular Scaffold for Efficacious Delivery of Metabolic Modulator Dichloroacetate. ACS chemical biology 9(5) (2014) 1178-1187
Space group: P c a 21
Cell volume: 4553.3
Cell parameters: 24.304; 13.1642; 14.231; 90; 90; 90;  

COD ID: 4512581
CIF file Formula: - C21 H28 O6 -
Comments: Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A. Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance. ACS chemical biology 10(4) (2015) 1099-1109
Space group: P 1 21/c 1
Cell volume: 1884.9
Cell parameters: 10.2863; 18.1078; 10.1523; 90; 94.602; 90;  

COD ID: 4512582
CIF file Formula: - C98.91 H133.82 O24.1 -
Comments: Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A. Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance. ACS chemical biology 10(4) (2015) 1099-1109
Space group: P 61
Cell volume: 14488.4
Cell parameters: 49.7851; 49.7851; 6.7498; 90; 90; 120;  

COD ID: 4512583
CIF file Formula: - C21 H26 O5 -
Comments: Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A. Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance. ACS chemical biology 10(4) (2015) 1099-1109
Space group: I 41/a
Cell volume: 7105.3
Cell parameters: 22.3255; 22.3255; 14.2555; 90; 90; 90;  

COD ID: 4513734
CIF file Formula: - C20 H21 N2 O9 P S -
Comments: Wang, Xiaoyan; Feng, Mengli; Xiao, Lu; Tong, Aijun; Xiang, Yu Postsynthetic Modification of DNA Phosphodiester Backbone for Photocaged DNAzyme. ACS chemical biology 11(2) (2016) 444-451
Space group: P -1
Cell volume: 1135.6
Cell parameters: 8.5482; 11.007; 12.743; 73.48; 82.03; 83.95;  

COD ID: 4513800
CIF file Formula: - C22 H21 N3 O4 -
Comments: Morgen, Michael; Jöst, Christian; Malz, Mona; Janowski, Robert; Niessing, Dierk; Klein, Christian D.; Gunkel, Nikolas; Miller, Aubry K. Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity. ACS chemical biology 11(4) (2016) 1001-1011
Space group: P 1 21/n 1
Cell volume: 1873.07
Cell parameters: 12.8402; 5.0878; 29.1529; 90; 100.425; 90;  

COD ID: 4513828
CIF file Formula: - C37 H63 N O5 S2 -
Comments: Abrams, Rachel P.; Carroll, William L.; Woerpel, K. A. Five-Membered Ring Peroxide Selectively Initiates Ferroptosis in Cancer Cells. ACS chemical biology 11(5) (2016) 1305-1312
Space group: P 21 21 21
Cell volume: 3692.7
Cell parameters: 6.5242; 18.975; 29.829; 90; 90; 90;  

COD ID: 4513989
CIF file Formula: - C19 H19 Br O5 -
Comments: Widen, John C.; Kempema, Aaron M.; Villalta, Peter W.; Harki, Daniel A. Targeting NF-κB p65 with a Helenalin Inspired Bis-electrophile. ACS chemical biology 12(1) (2017) 102-113
Space group: P -1
Cell volume: 876.87
Cell parameters: 6.8412; 9.1081; 15.4906; 94.527; 101.197; 110.28;  

COD ID: 4514088
CIF file Formula: - C33 H28 Au F6 N3 P2 S -
Comments: Pérez, Sergio A; de Haro, Concepción; Vicente, Consuelo; Donaire, Antonio; Zamora, Ana; Zajac, Juraj; Kostrhunova, Hana; Brabec, Viktor; Bautista, Delia; Ruiz, José New Acridine Thiourea Gold(I) Anticancer Agents: Targeting the Nucleus and Inhibiting Vasculogenic Mimicry. ACS chemical biology 12(6) (2017) 1524-1537
Space group: P -1
Cell volume: 1630.65
Cell parameters: 9.5075; 10.8348; 16.6081; 106.325; 95.4554; 92.1864;  

COD ID: 4514277
CIF file Formula: - C64 H137 N11 O33 -
Comments: Götze, Sebastian; Herbst-Irmer, Regine; Klapper, Martin; Görls, Helmar; Schneider, Kilian R. A.; Barnett, Robert; Burks, Thomas; Neu, Ursula; Stallforth, Pierre Structure, Biosynthesis, and Biological Activity of the Cyclic Lipopeptide Anikasin. ACS chemical biology 12(10) (2017) 2498-2502
Space group: P 1 21 1
Cell volume: 8685
Cell parameters: 12.974; 41.124; 16.447; 90; 98.2; 90;  

COD ID: 4514610
CIF file Formula: - C25 H29 N O8 -
Comments: Gerlach, Erica M.; Korkmaz, Melissa A.; Pavlinov, Ivan; Gao, Qiwen; Aldrich, Leslie N. Systematic Diversity-Oriented Synthesis of Reduced Flavones from γ-Pyrones to Probe Biological Performance Diversity. ACS chemical biology 14(7) (2019) 1536-1545
Space group: P -1
Cell volume: 1221.46
Cell parameters: 6.072; 13.299; 16.147; 73.2; 82.66; 78.95;  

COD ID: 4515456
CIF file Formula: - C50 H42 F2 N6 O4 Zn -
Comments: Vaden, Rachel M.; Guillen, Katrin P.; Salvant, Justin M.; Santiago, Celine B.; Gibbons, Joseph B.; Pathi, Satya S.; Arunachalam, Sasi; Sigman, Matthew S.; Looper, Ryan E.; Welm, Bryan E. A Cancer-Selective Zinc Ionophore Inspired by the Natural Product Naamidine A. ACS chemical biology 14(1) (2019) 106-117
Space group: P -1
Cell volume: 2105.5
Cell parameters: 12.4957; 12.624; 14.069; 77.346; 86.013; 76.532;  

COD ID: 4517245
CIF file Formula: - C28 H41 N O5 -
Comments: Li, Hang; Wei, Haochen; Hu, Jinyu; Lacey, Ernest; Sobolev, Alexandre N.; Stubbs, Keith A.; Solomon, Peter S.; Chooi, Yit-Heng Genomics-driven Discovery of Phytotoxic Cytochalasans involved in the Virulence of the Wheat Pathogen Parastagonospora nodorum. ACS chemical biology (2019)
Space group: P 1 21 1
Cell volume: 1269.36
Cell parameters: 8.8287; 11.0571; 13.3265; 90; 102.649; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.