Cryo-EM structure of LRRK2 bound to type I inhibitor GNE-7915
Resolution: 3.8 Å
EM Method: Single-particle
Fitted PDBs: 8u7h
Q-score: 0.442
Cell Discov (2024) 10 pp. 10-10 [ DOI: doi:10.1038/s41421-023-00639-8 Pubmed: 38263358 ]
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Non-specific serine/threonine protein kinase (136 kDa, Protein from Homo sapiens)
- Lrrk2-gne-7915 (137 MDa, Complex from Homo sapiens)
- [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone (443 Da, Ligand)
Cryo-EM structure of LRRK2 bound to type II inhibitor GZD824
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 8u7l
Q-score: 0.345
Cell Discov (2024) 10 pp. 10-10 [ DOI: doi:10.1038/s41421-023-00639-8 Pubmed: 38263358 ]
- 4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide (532 Da, Ligand)
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Leucine-rich repeat serine/threonine-protein kinase 2 (286 kDa, Protein from Homo sapiens)
- Lrrk2-gzd824 (286 MDa, Complex from Homo sapiens)
Cryo-EM structure of LRRK2 bound to type II inhibitor ponatinib
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8u8a
Q-score: 0.395
Cell Discov (2024) 10 pp. 10-10 [ DOI: doi:10.1038/s41421-023-00639-8 Pubmed: 38263358 ]
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Lrrk2-ponatinib (286 MDa, Complex from Homo sapiens)
- 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide (532 Da, Ligand)
- Leucine-rich repeat serine/threonine-protein kinase 2 (286 kDa, Protein from Homo sapiens)
Cryo-EM structure of LRRK2 bound to type II inhibitor rebastinib
Resolution: 3.7 Å
EM Method: Single-particle
Fitted PDBs: 8u8b
Q-score: 0.312
Cell Discov (2024) 10 pp. 10-10 [ DOI: doi:10.1038/s41421-023-00639-8 Pubmed: 38263358 ]
- Leucine-rich repeat serine/threonine-protein kinase 2 (286 kDa, Protein from Homo sapiens)
- 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide (553 Da, Ligand)
- Lrrk2-rebastinib (286 MDa, Complex from Homo sapiens)
- Guanosine-5'-diphosphate (443 Da, Ligand)
Cryo-EM structure of LRRK2 bound to type I inhibitor LRRK2-IN-1
Resolution: 3.52 Å
EM Method: Single-particle
Fitted PDBs: 8fo7
Q-score: 0.459
Cell Discov (2024) 10 pp. 10-10 [ DOI: doi:10.1038/s41421-023-00639-8 Pubmed: 38263358 ]
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Leucine-rich repeat serine/threonine-protein kinase 2 (136 kDa, Protein from Homo sapiens)
- 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one (570 Da, Ligand)
- Lrrk2-lrrk2-in-1 (Complex from Homo sapiens)