9I3Y
Name : Crystal structure of human monoacylglycerol lipase in complex with compound 17
Revelation date : 10-Dec-2025
Family : Monoglyceridelipase_lysophospholip
Gene_locus : human-MGLL
PDB file : ESTHER: header of PDB entry RCSB: Full entry
Comment
Walter, A.,Atz, K.,Stenzhorn, Y.,Nippa, D.,Grether, U.,Kuhn, B.,Martin, R.,Benz, J.
Ligand : Inhibitor CHEMBL5854413 Ligand in structure: Ligplot
References (3)
| Title : Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization - Nippa_2025_Nat.Commun__ |
| Author(s) : Nippa DF , Atz K , Stenzhorn Y , Muller AT , Tosstorff A , Benz J , Binch H , Burkler M , Haider A , Heer D , Hochstrasser R , Kramer C , Reutlinger M , Schneider P , Shema T , Topp A , Walter A , Wittwer MB , Wolfard J , Kuhn B , van der Stelt M , Martin RE , Grether U , Schneider G |
| Ref : Nat Commun , : , 2025 |
| Abstract : |
| PubMedSearch : Nippa_2025_Nat.Commun__ |
| PubMedID: 41290653 |
| Gene_locus related to this paper: human-MGLL |
| Title : Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization - Nippa_2025_Nat.Commun__ |
| Author(s) : Nippa DF , Atz K , Stenzhorn Y , Muller AT , Tosstorff A , Benz J , Binch H , Burkler M , Haider A , Heer D , Hochstrasser R , Kramer C , Reutlinger M , Schneider P , Shema T , Topp A , Walter A , Wittwer MB , Wolfard J , Kuhn B , van der Stelt M , Martin RE , Grether U , Schneider G |
| Ref : Nat Commun , : , 2025 |
| Abstract : |
| PubMedSearch : Nippa_2025_Nat.Commun__ |
| PubMedID: 41290653 |
| Gene_locus related to this paper: human-MGLL |
| Title : Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization - Nippa_2025_Nat.Commun__ |
| Author(s) : Nippa DF , Atz K , Stenzhorn Y , Muller AT , Tosstorff A , Benz J , Binch H , Burkler M , Haider A , Heer D , Hochstrasser R , Kramer C , Reutlinger M , Schneider P , Shema T , Topp A , Walter A , Wittwer MB , Wolfard J , Kuhn B , van der Stelt M , Martin RE , Grether U , Schneider G |
| Ref : Nat Commun , : , 2025 |
| Abstract : |
| PubMedSearch : Nippa_2025_Nat.Commun__ |
| PubMedID: 41290653 |
| Gene_locus related to this paper: human-MGLL |
Representative scheme of Prolylcarboxypeptidase structure and an image from PDBsum server
Databases
PDB-Sum : 9I3Y Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP : 9I3Y Fold classification based on Structure-Structure alignment of Proteins - FSSP server
SCOP : 9I3Y Structural Classification Of Protein - SCOP server
PROTEOPEDIA : 9I3Y 3D, interactive encyclopedia of proteins - PROTEOPEDIA server