相关数据集
Crystal structure of Endothiapepsin in complex with fragment EOS103110 from ECBL-96
Crystal structure of Endothiapepsin in complex with fragment EOS103110 from ECBL-96 Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine, ACETATE IO
Protein Data Bank Japan2025-12-31 更新70
Structural studies of protein tyrosine phosphatase beta catalytic domain co-crystallized with a sulfamic acid inhibitor
Structural studies of protein tyrosine phosphatase beta catalytic domain co-crystallized with a sulfamic acid inhibitor Descriptor: CHLORIDE ION, MAGNESIUM ION, N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-MET
Protein Data Bank Japan2023-08-30 更新40
Identification of potential modulators of IFITM3 by in-silico modeling and virtual screening
Modeled structure of IFITM3 and Desmond MD trajectory files for IFITM3 and IFITM3-ligand complexes. Please see README file.
Zenodo2022-09-28 更新10
Endothiapepsin crystal B11a from ECBL follow-up screening campaign used for PanDDA ground state calculation
Endothiapepsin crystal B11a from ECBL follow-up screening campaign used for PanDDA ground state calculation
NIAID Data Ecosystem50
Source data for plots in manuscript Integrative Residue-intuitive Machine Learning and Molecular Dynamics Approach to Unveil Allosteric Site and Mechanism for G-protein Couple Receptors
Source data for plots in manuscript Integrative Residue-intuitive Machine Learning and Molecular Dynamics Approach to Unveil Allosteric Site and Mechanism for G-protein Couple Receptors
Figshare2024-04-13 更新20
