Human p97/VCP structure with a triazole inhibitor (NSC799462/hexamer)
Resolution: 3.23 Å
EM Method: Single-particle
Fitted PDBs: 8uv2
Q-score: 0.39
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)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
- 3-(4-{[(4p)-5-{[(1r)-cyclohex-2-en-1-yl]sulfanyl}-4-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]methoxy}-2,6-difluorophenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate (594 Da, Ligand)
- P97/vcp aaa+ atpase/nsc799462 (536 kDa, Complex from Homo sapiens)
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)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
- 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)
- P97/vcp aaa+ atpase r155h mutant/nsc804515 (536 kDa, Complex from Homo sapiens)
Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/up)
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)
- P97/vcp aaa+ atpase r155h mutant/nsc819701 (536 kDa, Complex from Homo sapiens)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
- 2-[(4p)-4-(4-{[(4p)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2h-1,2,3-triazol-2-yl]-1-[(2r,6s)-2,6-dimethylmorpholin-4-yl]ethan-1-one (624 Da, Ligand)
Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/down)
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)
- P97/vcp aaa+ atpase r155h mutant/nsc819701 (536 kDa, Complex from Homo sapiens)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
- 2-[(4p)-4-(4-{[(4p)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2h-1,2,3-triazol-2-yl]-1-[(2r,6s)-2,6-dimethylmorpholin-4-yl]ethan-1-one (624 Da, Ligand)
Human p97/VCP structure with a triazole inhibitor (NSC799462/dodecamer)
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)
- 3-(2,6-difluoro-4-{[(4p)-5-{[(2s)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate (598 Da, Ligand)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
- P97/vcp aaa+ atpase/nsc799462 (536 kDa, Complex from Homo sapiens)