Cryo-EM structure of human uMtCK1 in complex with ADP and covalent inhibitor CKi
Resolution: 2.89 Å
EM Method: Single-particle
Fitted PDBs: 9b16
Q-score: 0.509
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 ]
- Adenosine-5'-diphosphate (427 Da, Ligand)
- (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)
Resolution: 2.71 Å
EM Method: Single-particle
Fitted PDBs: 9fzy
Q-score: 0.673
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ DOI: doi:10.1126/science.adr9672 Pubmed: 39883773 ]
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Nickel (ii) ion (58 Da, Ligand)
- Corrinoid iron-sulfur protein large subunit (49 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Cobalamin (1 kDa, Ligand)
- Iron/sulfur cluster (351 Da, Ligand)
- Acetyl-coa decarbonylase/synthase complex subunit delta (34 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)
Resolution: 2.65 Å
EM Method: Single-particle
Fitted PDBs: 9fzz
Q-score: 0.675
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ DOI: doi:10.1126/science.adr9672 Pubmed: 39883773 ]
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Nickel (ii) ion (58 Da, Ligand)
- Corrinoid iron-sulfur protein large subunit (49 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Cobalamin (1 kDa, Ligand)
- Iron/sulfur cluster (351 Da, Ligand)
- Acetyl-coa decarbonylase/synthase complex subunit delta (34 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)
Resolution: 2.88 Å
EM Method: Single-particle
Fitted PDBs: 9g00
Q-score: 0.663
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ DOI: doi:10.1126/science.adr9672 Pubmed: 39883773 ]
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Nickel (ii) ion (58 Da, Ligand)
- Corrinoid iron-sulfur protein large subunit (49 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Fe(3)-ni(1)-s(4) cluster (410 Da, Ligand)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Cobalamin (1 kDa, Ligand)
- Iron/sulfur cluster (351 Da, Ligand)
- Acetyl-coa decarbonylase/synthase complex subunit delta (34 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)
Resolution: 2.83 Å
EM Method: Single-particle
Fitted PDBs: 9g01
Q-score: 0.706
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ DOI: doi:10.1126/science.adr9672 Pubmed: 39883773 ]
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Nickel (ii) ion (58 Da, Ligand)
- 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 (28 Da, Ligand)
- Carbon monoxide dehydrogenase/acetyl-coa synthase (Complex from Clostridium autoethanogenum DSM 10061)
- Iron/sulfur cluster (351 Da, Ligand)
Resolution: 3.29 Å
EM Method: Single-particle
Fitted PDBs: 9g02
Q-score: 0.672
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ DOI: doi:10.1126/science.adr9672 Pubmed: 39883773 ]
- Carbon monoxide dehydrogenase/acetyl-coa synthase beta subunit (67 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Nickel (ii) ion (58 Da, Ligand)
- 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 (Complex from Clostridium autoethanogenum DSM 10061)
- Iron/sulfur cluster (351 Da, Ligand)
Resolution: 2.1 Å
EM Method: Single-particle
Fitted PDBs: 9g03
Q-score: 0.712
Yin MD, Lemaire ON, Rosas Jimenez JG, Belhamri M, Shevchenko A, Hummer G, Wagner T, Murphy BJ
Science (2025) 387 pp. 498-504 [ DOI: doi:10.1126/science.adr9672 Pubmed: 39883773 ]
- 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)
- Carbon monoxide dehydrogenase/acetyl-coa synthase in complex with ferredoxin (Complex from Clostridium autoethanogenum DSM 10061)
- Co-methylating acetyl-coa synthase (76 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Ferredoxin (5 kDa, Protein from Clostridium autoethanogenum DSM 10061)
- Iron/sulfur cluster (351 Da, Ligand)
Resolution: 4.2 Å
EM Method: Single-particle
Fitted PDBs: 8y1v
Q-score: 0.333
To Be Published
- N-methyl-d-aspartate receptors (400 MDa, Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (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)
- Glutamate receptor ionotropic, nmda 2d (99 kDa, Protein from Homo sapiens)
- Isoform 6 of glutamate receptor ionotropic, nmda 1 (97 kDa, Protein 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) 638 pp. 562-568 [ Pubmed: 39843743 DOI: doi:10.1038/s41586-024-08454-1 ]
- Kappa fab_1f4 light chain (23 kDa, Protein from Mus musculus)
- Gamma-aminobutyric acid receptor subunit gamma-2 (50 kDa, Protein from Homo sapiens)
- [(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-amino-butanoic acid (103 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (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)
- Native gabaa receptor from human brain (Complex from Homo sapiens)
- Gamma-aminobutyric acid receptor subunit alpha-1 (48 kDa, Protein from Homo sapiens)
- Igg2b fab_1f4 heavy chain (49 kDa, Protein from Mus musculus)
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) 638 pp. 562-568 [ Pubmed: 39843743 DOI: doi:10.1038/s41586-024-08454-1 ]
- Kappa fab_1f4 light chain (23 kDa, Protein from Mus musculus)
- Gamma-aminobutyric acid receptor subunit gamma-2 (50 kDa, Protein from Homo sapiens)
- [(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-amino-butanoic acid (103 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (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)
- Native gabaa receptor from human brain (Complex from Homo sapiens)
- Gamma-aminobutyric acid receptor subunit alpha-1 (48 kDa, Protein from Homo sapiens)
- Igg2b fab_1f4 heavy chain (49 kDa, Protein from Mus musculus)
- Gamma-aminobutyric acid receptor subunit alpha-2 (48 kDa, Protein from Homo sapiens)