Cryo-EM structure of human uMtCK1 in complex with ADP and covalent inhibitor CKi
Demir M, Koepping L, Li Y, Fujimoto L, Bobkov A, Zhao J, Hitosugi T, Sergienko E
Structure (2025) [ Pubmed: 39904336 DOI: doi:10.1016/j.str.2025.01.008 ]
- (2s)-4-(chloroacetyl)-3,4-dihydro-2h-1,4-benzoxazine-2-carboxamide (254 Da, Ligand)
- Creatine kinase u-type, mitochondrial (47 kDa, Protein from Homo sapiens)
- Octameric u-type mitochondrial creatine kinase (Complex from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ Pubmed: 39883773 DOI: doi:10.1126/science.adr9672 ]
- Cobalamin (1 kDa, Ligand)
- Nickel (ii) ion (58 Da, Ligand)
- Acetyl-coa decarbonylase/synthase complex subunit delta (34 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Corrinoid iron-sulfur protein large subunit (49 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Iron/sulfur cluster (351 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase in complex with corrinoid/iron-sulfur protein (Complex from Clostridium autoethanogenum DSM 10061)
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ Pubmed: 39883773 DOI: doi:10.1126/science.adr9672 ]
- Cobalamin (1 kDa, Ligand)
- Nickel (ii) ion (58 Da, Ligand)
- Acetyl-coa decarbonylase/synthase complex subunit delta (34 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Corrinoid iron-sulfur protein large subunit (49 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Iron/sulfur cluster (351 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase in complex with corrinoid/iron-sulfur protein (Complex from Clostridium autoethanogenum DSM 10061)
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ Pubmed: 39883773 DOI: doi:10.1126/science.adr9672 ]
- Cobalamin (1 kDa, Ligand)
- Nickel (ii) ion (58 Da, Ligand)
- Acetyl-coa decarbonylase/synthase complex subunit delta (34 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Corrinoid iron-sulfur protein large subunit (49 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Iron/sulfur cluster (351 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase in complex with corrinoid/iron-sulfur protein (Complex from Clostridium autoethanogenum DSM 10061)
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ Pubmed: 39883773 DOI: doi:10.1126/science.adr9672 ]
- Nickel (ii) ion (58 Da, Ligand)
- Carbon monoxide (28 Da, Ligand)
- Carbon monoxide dehydrogenase/acetyl-coa synthase (Complex from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Iron/sulfur cluster (351 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ Pubmed: 39883773 DOI: doi:10.1126/science.adr9672 ]
- Nickel (ii) ion (58 Da, Ligand)
- Carbon monoxide dehydrogenase/acetyl-coa synthase (Complex from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Iron/sulfur cluster (351 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ Pubmed: 39883773 DOI: doi:10.1126/science.adr9672 ]
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase in complex with ferredoxin (Complex from Clostridium autoethanogenum DSM 10061)
- Iron/sulfur cluster (351 Da, Ligand)
- Ferredoxin (5 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
Resolution: 4.2 Å
EM Method: Single-particle
Fitted PDBs: 8y1v
Q-score: 0.333
To Be Published
- Isoform 6 of glutamate receptor ionotropic, nmda 1 (97 kDa, Protein from Homo sapiens)
- Glutamate receptor ionotropic, nmda 2d (99 kDa, Protein from Homo sapiens)
- (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(2~{s})-2-methyl-4-[(1~{r},2~{r},4~{s},6~{s},7~{s},8~{r},9~{s},12~{s},13~{r},16~{s},18~{r})-7,9,13,18-tetramethyl-16-oxidanyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-yl]butoxy]oxane-3,4,5-triol (592 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- N-methyl-d-aspartate receptors (400 MDa, Complex from Homo sapiens)
Native human GABAA receptor of beta2-alpha1-beta2-alpha1-gamma2 assembly
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 9crs
Q-score: 0.509
Zhou J, Noviello CM, Teng J, Moore H, Lega B, Hibbs RE
Nature (2025) [ DOI: doi:10.1038/s41586-024-08454-1 Pubmed: 39843743 ]
- Gamma-aminobutyric acid receptor subunit gamma-2 (50 kDa, Protein from Homo sapiens)
- Igg2b fab_1f4 heavy chain (49 kDa, Protein from Mus musculus)
- [(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate (746 Da, Ligand)
- Native gabaa receptor from human brain (Complex from Homo sapiens)
- Gamma-aminobutyric acid receptor subunit beta-2 (56 kDa, Protein from Homo sapiens)
- Kappa fab_1f4 light chain (23 kDa, Protein from Mus musculus)
- Gamma-amino-butanoic acid (103 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-1 (48 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Native human GABAA receptor of beta2-alpha1-gamma2-beta2-alpha2 assembly
Resolution: 3.18 Å
EM Method: Single-particle
Fitted PDBs: 9crv
Q-score: 0.471
Zhou J, Noviello CM, Teng J, Moore H, Lega B, Hibbs RE
Nature (2025) [ DOI: doi:10.1038/s41586-024-08454-1 Pubmed: 39843743 ]
- Gamma-aminobutyric acid receptor subunit alpha-1 (48 kDa, Protein from Homo sapiens)
- Gamma-amino-butanoic acid (103 Da, Ligand)
- Native gabaa receptor from human brain (Complex from Homo sapiens)
- Kappa fab_1f4 light chain (23 kDa, Protein from Mus musculus)
- [(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate (746 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-2 (48 kDa, Protein from Homo sapiens)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit beta-2 (56 kDa, Protein from Homo sapiens)
- Gamma-aminobutyric acid receptor subunit gamma-2 (50 kDa, Protein from Homo sapiens)
- Igg2b fab_1f4 heavy chain (49 kDa, Protein from Mus musculus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)