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TitleA bottom-up approach to find lead compounds in expansive chemical spaces.
Journal, issue, pagesCommun Chem, Vol. 8, Page 225-225, Year 2025
Publish dateDec 19, 2024 (structure data deposition date)
AuthorsSerrano-Morras, A. / Bertran-Mostazo, A. / Minarro-Lleonar, M. / Comajuncosa-Creus, A. / Cabello, A. / Labranya, C. / Escudero, C. / Tian, T.V. / Khutorianska, I. / Radchenko, D.S. ...Serrano-Morras, A. / Bertran-Mostazo, A. / Minarro-Lleonar, M. / Comajuncosa-Creus, A. / Cabello, A. / Labranya, C. / Escudero, C. / Tian, T.V. / Khutorianska, I. / Radchenko, D.S. / Moroz, Y.S. / Defelipe, L. / Ruiz-Carrillo, D. / Garcia-Alai, M. / Schmidt, R. / Rarey, M. / Aloy, P. / Galdeano, C. / Juarez-Jimenez, J. / Barril, X.
External linksCommun Chem / PubMed:40750916
MethodsX-ray diffraction
Resolution1.33 - 1.94 Å
Structure data

PDB-9ht0:
A novel bottom-up approach to find lead-compounds in billion-sized libraries
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

PDB-9ht1:
A novel bottom-up approach to find lead-compounds in billion-sized libraries
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-9ht2:
A novel bottom-up approach to find lead-compounds in billion-sized libraries
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

Chemicals

PDB-1ixd:
Solution structure of the CAP-GLY domain from human cylindromatosis tomour-suppressor CYLD

ChemComp-HOH:
WATER

PDB-1ixe:
Crystal structure of citrate synthase from Thermus thermophilus HB8

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

PDB-1ixf:
Crystal Structure of the K intermediate of bacteriorhodopsin

ChemComp-P4G:
1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE

Source
  • homo sapiens (human)
KeywordsGENE REGULATION / BRD4 / drug discovery

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