C-terminal LRRK2 bound to E11 DARPin
Mathea S, Dederer V, Sanz-Murillo M, Leschziner A, Knapp S
To Be Published
- C-terminal lrrk2 bound to e11 darpin (156 kDa, Complex from Homo sapiens)
- Leucine-rich repeat serine/threonine-protein kinase 2 (136 kDa, Protein from Homo sapiens)
- E11 darpin (19 kDa, Protein from synthetic construct)
Single particle Cryo EM of the C-terminal half LRRK2 I2020T mutant bound to GZD-824
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 [ Pubmed: 38039358 DOI: 10.1126/sciadv.adk6191 ]
Image sets:
Single particle Cryo EM of the C-terminal half LRRK2 G2019S mutant bound to GZD-824
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 [ Pubmed: 38039358 DOI: 10.1126/sciadv.adk6191 ]
Image sets:
Single particle Cryo EM of the LRRK2 I2020T mutant bound to GZD-824
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 [ Pubmed: 38039358 DOI: 10.1126/sciadv.adk6191 ]
Image sets:
Structure of C-terminal LRRK2 bound to MLi-2
Resolution: 3.05 Å
EM Method: Single-particle
Fitted PDBs: 8txz
Q-score: 0.511
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 pp. eadk6191-eadk6191 [ Pubmed: 38039358 DOI: doi:10.1126/sciadv.adk6191 ]
- (2~{r},6~{s})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{h}-indazol-3-yl]pyrimidin-4-yl]morpholine (379 Da, Ligand)
- Water (18 Da, Ligand)
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Leucine-rich repeat serine/threonine-protein kinase 2 (136 kDa, Protein from Homo sapiens)
- C-terminal lrrk2 bound to mli-2 (137 kDa, Complex from Homo sapiens)
Structure of the C-terminal half of LRRK2 bound to GZD-824 (G2019S mutant)
Resolution: 2.99 Å
EM Method: Single-particle
Fitted PDBs: 8tyq
Q-score: 0.375
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 pp. eadk6191-eadk6191 [ Pubmed: 38039358 DOI: doi:10.1126/sciadv.adk6191 ]
- Leucine-rich repeat serine/threonine-protein kinase 2 (286 kDa, Protein from Homo sapiens)
- 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)
- Lrrk2-rckw g2019s bound to gzd-824 (Complex from Homo sapiens)
- Designed ankyrin repeats protein e11 (19 kDa, Protein from synthetic construct)
Structure of the C-terminal half of LRRK2 bound to GZD-824 (I2020T mutant)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8tzb
Q-score: 0.433
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 pp. eadk6191-eadk6191 [ Pubmed: 38039358 DOI: doi:10.1126/sciadv.adk6191 ]
- Leucine-rich repeat serine/threonine-protein kinase 2 (286 kDa, Protein from Homo sapiens)
- Lrrk2-rckw g2019s bound to gzd-824 and e11 darpin (Complex from Homo sapiens)
- 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)
- Designed ankyrin repeat proteins e11 (19 kDa, Protein from synthetic construct)
Structure of C-terminal LRRK2 bound to MLi-2 (G2019S mutant)
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 8tzc
Q-score: 0.557
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 pp. eadk6191-eadk6191 [ Pubmed: 38039358 DOI: doi:10.1126/sciadv.adk6191 ]
- (2~{r},6~{s})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{h}-indazol-3-yl]pyrimidin-4-yl]morpholine (379 Da, Ligand)
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Water (18 Da, Ligand)
- C-terminal lrrk2 (g2019s mutation) bound to mli-2 (137 kDa, Complex from Homo sapiens)
- Leucine-rich repeat serine/threonine-protein kinase 2 (136 kDa, Protein from Homo sapiens)
- E11 darpin (19 kDa, Protein from synthetic construct)
Structure of C-terminal half of LRRK2 bound to GZD-824
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8tze
Q-score: 0.535
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 pp. eadk6191-eadk6191 [ Pubmed: 38039358 DOI: doi:10.1126/sciadv.adk6191 ]
- Leucine-rich repeat serine/threonine-protein kinase 2 (286 kDa, Protein from Homo sapiens)
- Complex of lrrk2-rckw with gzd-824 (137 kDa, Complex from Homo sapiens)
- 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)
Structure of full length LRRK2 bound to GZD-824 (I2020T mutant)
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8tzf
Q-score: 0.46
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE
Sci Adv (2023) 9 pp. eadk6191-eadk6191 [ Pubmed: 38039358 DOI: doi:10.1126/sciadv.adk6191 ]
- Complex of lrrk2 with gzd-824 and darpin bound (Complex from Homo sapiens)
- Guanosine-5'-diphosphate (443 Da, Ligand)
- 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)
- Designed ankyrin repeat proteins e11 (19 kDa, Protein from synthetic construct)
- Leucine-rich repeat serine/threonine-protein kinase 2 (286 kDa, Protein from Homo sapiens)