Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC804515)
Nandi P, DeVore K, Wang F, Li S, Walker JD, Truong TT, LaPorte MG, Wipf P, Schlager H, McCleerey J, Paquette W, Columbres RCA, Gan T, Poh YP, Fromme P, Flint AJ, Wolf M, Huryn DM, Chou TF, Chiu PL
Commun Chem (2024) 7 pp. 177-177 [ DOI: doi:10.1038/s42004-024-01267-3 Pubmed: 39122922 ]
- Adenosine-5'-diphosphate (427 Da, Ligand)
- N-[3-(2,5-difluoro-4-{[(4m)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide (513 Da, Ligand)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
- P97/vcp aaa+ atpase r155h mutant/nsc804515 (536 kDa, Complex from Homo sapiens)
Resolution: 2.97 Å
EM Method: Single-particle
Fitted PDBs: 7saa
Q-score: 0.505
Chou TH, Epstein M, Michalski K, Fine E, Biggin PC, Furukawa H
Nat Struct Mol Biol (2022) 29 pp. 507-518 [ Pubmed: 35637422 DOI: doi:10.1038/s41594-022-00772-0 ]
- Glutamate receptor ionotropic, nmda 2b (98 kDa, Protein from Rattus norvegicus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Glutamate receptor ionotropic, nmda 1 (95 kDa, Protein from Rattus norvegicus)
- Glutamic acid (147 Da, Ligand)
- Glycine (75 Da, Ligand)
- Hetero-tetrameric glun1a-glun2b nmda receptors (Complex from Rattus norvegicus)
S-(+)-ketamine bound GluN1a-GluN2B NMDA receptors at 3.69 Angstrom resolution
Resolution: 3.69 Å
EM Method: Single-particle
Fitted PDBs: 7sac
Q-score: 0.419
Chou TH, Epstein M, Michalski K, Fine E, Biggin PC, Furukawa H
Nat Struct Mol Biol (2022) 29 pp. 507-518 [ Pubmed: 35637422 DOI: doi:10.1038/s41594-022-00772-0 ]
- Glutamate receptor ionotropic, nmda 2b (98 kDa, Protein from Rattus norvegicus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (2~{s})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one (237 Da, Ligand)
- Glutamate receptor ionotropic, nmda 1 (95 kDa, Protein from Rattus norvegicus)
- Glutamic acid (147 Da, Ligand)
- Glycine (75 Da, Ligand)
- Hetero-tetrameric glun1a-glun2b nmda receptors (Complex from Rattus norvegicus)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7t4s
Q-score: 0.57
Kschonsak M, Johnson MC, Schelling R, Green EM, Rouge L, Ho H, Patel N, Kilic C, Kraft E, Arthur CP, Rohou AL, Comps-Agrar L, Martinez-Martin N, Perez L, Payandeh J, Ciferri C
Sci Adv (2022) 8 pp. eabm2536-eabm2536 [ Pubmed: 35275719 DOI: doi:10.1126/sciadv.abm2536 ]
- Fab 8i21 light chain (25 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Envelope protein ul128 (19 kDa, Protein from Human betaherpesvirus 5)
- Envelope glycoprotein l (30 kDa, Protein from Human betaherpesvirus 5)
- Envelope glycoprotein ul130 (28 kDa, Protein from Human betaherpesvirus 5)
- Fab 8i21 heavy chain (26 kDa, Protein from Homo sapiens)
- Neuropilin-2 (98 kDa, Protein from Homo sapiens)
- Pentameric complex of hcmv proteins gh, gl, ul128, ul130, ul131a bound to neuropilin 2 and fabs of human neutralizing antibodies 8i21 and 13h11 (360 kDa, Complex)
- Fab 13h11 heavy chain (26 kDa, Protein from Homo sapiens)
- Envelope protein ul131a (15 kDa, Protein from Human betaherpesvirus 5)
- Envelope glycoprotein h (87 kDa, Protein from Human betaherpesvirus 5)
- Fab 13h11 light chain (25 kDa, Protein from Homo sapiens)
Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement
Resolution: 2.97 Å
EM Method: Single-particle
Fitted PDBs: 7lrc
Q-score: 0.437
Garvie CW, Wu X, Papanastasiou M, Lee S, Fuller J, Schnitzler GR, Horner SW, Baker A, Zhang T, Mullahoo JP, Westlake L, Hoyt SH, Toetzl M, Ranaghan MJ, de Waal L, McGaunn J, Kaplan B, Piccioni F, Yang X, Lange M, Tersteegen A, Raymond D, Lewis TA, Carr SA, Cherniack AD, Lemke CT, Meyerson M, Greulich H
Nat Commun (2021) 12 pp. 4375-4375 [ Pubmed: 34272366 DOI: doi:10.1038/s41467-021-24495-w ]
- Cgmp-inhibited 3',5'-cyclic phosphodiesterase a (57 kDa, Protein from Homo sapiens)
- Schlafen family member 12 (67 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Manganese (ii) ion (54 Da, Ligand)
- (4~{r})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{h}-pyridazin-6-one (305 Da, Ligand)
- Slfn12-pde3a complex, pde3a body with interacting peptide from slfn12 (Complex from Homo sapiens)
Cryo-EM of the SLFN12-PDE3A complex: Consensus subset model
Resolution: 3.22 Å
EM Method: Single-particle
Fitted PDBs: 7lrd
Q-score: 0.434
Garvie CW, Wu X, Papanastasiou M, Lee S, Fuller J, Schnitzler GR, Horner SW, Baker A, Zhang T, Mullahoo JP, Westlake L, Hoyt SH, Toetzl M, Ranaghan MJ, de Waal L, McGaunn J, Kaplan B, Piccioni F, Yang X, Lange M, Tersteegen A, Raymond D, Lewis TA, Carr SA, Cherniack AD, Lemke CT, Meyerson M, Greulich H
Nat Commun (2021) 12 pp. 4375-4375 [ Pubmed: 34272366 DOI: doi:10.1038/s41467-021-24495-w ]
- Slfn12-pde3a complex, consensus subset model (Complex from Homo sapiens)
- Cgmp-inhibited 3',5'-cyclic phosphodiesterase a (57 kDa, Protein from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Schlafen family member 12 (67 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Manganese (ii) ion (54 Da, Ligand)
- (4~{r})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{h}-pyridazin-6-one (305 Da, Ligand)
Cryo-EM of the SLFN12-PDE3A complex: SLFN12 body refinement
Resolution: 2.76 Å
EM Method: Single-particle
Fitted PDBs: 7lre
Q-score: 0.509
Garvie CW, Wu X, Papanastasiou M, Lee S, Fuller J, Schnitzler GR, Horner SW, Baker A, Zhang T, Mullahoo JP, Westlake L, Hoyt SH, Toetzl M, Ranaghan MJ, de Waal L, McGaunn J, Kaplan B, Piccioni F, Yang X, Lange M, Tersteegen A, Raymond D, Lewis TA, Carr SA, Cherniack AD, Lemke CT, Meyerson M, Greulich H
Nat Commun (2021) 12 pp. 4375-4375 [ Pubmed: 34272366 DOI: doi:10.1038/s41467-021-24495-w ]
- Slfn12-pde3a complex, slfn12 body (Complex from Homo sapiens)
- Schlafen family member 12 (67 kDa, Protein from Homo sapiens)
- Zinc ion (65 Da, Ligand)
Human AAA+ ATPase VCP mutant - T76A, AMP-PNP-bound form, Conformation I
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 7bpa
Q-score: 0.512
Zhu K, Cai Y, Si X, Ye Z, Gao Y, Liu C, Wang R, Ma Z, Zhu H, Zhang L, Li S, Zhang H, Yue J
Cell Death Differ. (2022) [ DOI: doi:10.1038/s41418-022-01000-4 Pubmed: 35430615 ]
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Transitional endoplasmic reticulum atpase, vcp. (97 MDa, Complex from Homo sapiens)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
- Phosphoaminophosphonic acid-adenylate ester (506 Da, Ligand)
Human AAA+ ATPase VCP mutant - T76E, AMP-PNP bound form, Conformation I
Resolution: 4.3 Å
EM Method: Single-particle
Fitted PDBs: 7bpb
Q-score: 0.366
Zhu K, Cai Y, Si X, Ye Z, Gao Y, Liu C, Wang R, Ma Z, Zhu H, Zhang L, Li S, Zhang H, Yue J
Cell Death Differ. (2022) [ DOI: doi:10.1038/s41418-022-01000-4 Pubmed: 35430615 ]
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Transitional endoplasmic reticulum atpase, vcp. (97 MDa, Complex from Homo sapiens)
- Phosphoaminophosphonic acid-adenylate ester (506 Da, Ligand)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
Resolution: 3.8 Å
EM Method: Single-particle
Fitted PDBs: 6z6o
Q-score: 0.313
Lee JH, Bollschweiler D, Schafer T, Huber R
Sci Adv (2021) 7 [ DOI: doi:10.1126/sciadv.abd4413 Pubmed: 33523989 ]
- Zinc ion (65 Da, Ligand)
- Histone deacetylase hda1 (74 kDa, Protein from Saccharomyces cerevisiae (strain ATCC 204508 / S288c))
- Histone deacetylase hda1 (76 kDa, Protein from Saccharomyces cerevisiae (strain ATCC 204508 / S288c))
- Hda1 complex subunit 3,hda1 complex subunit 3 (63 kDa, Protein from Saccharomyces cerevisiae (strain ATCC 204508 / S288c))
- Hdac-tc (Complex from Saccharomyces cerevisiae (strain ATCC 204508 / S288c))
- Hda1 complex subunit 2 (71 kDa, Protein from Saccharomyces cerevisiae (strain ATCC 204508 / S288c))