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)
CryoEM Structure of NLRP3 NACHT domain in complex with G2394
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 8etr
Q-score: 0.488
McBride C, Trzoss L, Povero D, Lazic M, Ambrus-Aikelin G, Santini A, Pranadinata R, Bain G, Stansfield R, Stafford JA, Veal J, Takahashi R, Ly J, Chen S, Liu L, Nespi M, Blake R, Katewa A, Kleinheinz T, Sujatha-Bhaskar S, Ramamoorthi N, Sims J, McKenzie B, Chen M, Ultsch M, Johnson M, Murray J, Ciferri C, Staben ST, Townsend MJ, Stivala CE
J Med Chem (2022) 65 pp. 14721-14739 [ DOI: doi:10.1021/acs.jmedchem.2c01250 Pubmed: 36279149 ]
- Nacht, lrr and pyd domains-containing protein 3 (63 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- (6s,8r)-n-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (431 Da, Ligand)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Nlrp3 nacht domain (120 kDa, 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 [ DOI: doi:10.1038/s41467-021-24495-w Pubmed: 34272366 ]
- Magnesium ion (24 Da, Ligand)
- Manganese (ii) ion (54 Da, Ligand)
- Zinc ion (65 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)
- Schlafen family member 12 (67 kDa, Protein from Homo sapiens)
- Slfn12-pde3a complex, consensus subset model (Complex from Homo sapiens)
- Cgmp-inhibited 3',5'-cyclic phosphodiesterase a (57 kDa, Protein from Homo sapiens)
Structure of human TRPA1 in complex with antagonist compound 21
Resolution: 3.05 Å
EM Method: Single-particle
Fitted PDBs: 7jup
Q-score: 0.522
Terrett JA, Chen H, Shore DG, Villemure E, Larouche-Gauthier R, Dery M, Beaumier F, Constantineau-Forget L, Grand-Maitre C, Lepissier L, Ciblat S, Sturino C, Chen Y, Hu B, Lu A, Wang Y, Cridland AP, Ward SI, Hackos DH, Reese RM, Shields SD, Chen J, Balestrini A, Riol-Blanco L, Lee WP, Liu J, Suto E, Wu X, Zhang J, Ly JQ, La H, Johnson K, Baumgardner M, Chou KJ, Rohou A, Rouge L, Safina BS, Magnuson S, Volgraf M
J Med Chem (2021) 64 pp. 3843-3869 [ Pubmed: 33749283 DOI: doi:10.1021/acs.jmedchem.0c02023 ]
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) [ Pubmed: 35430615 DOI: doi:10.1038/s41418-022-01000-4 ]
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Transitional endoplasmic reticulum atpase (89 kDa, Protein from Homo sapiens)
- Phosphoaminophosphonic acid-adenylate ester (506 Da, Ligand)
- Transitional endoplasmic reticulum atpase, vcp. (97 MDa, Complex from Homo sapiens)
Structure of human TRPA1 in complex with inhibitor GDC-0334
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 6wj5
Q-score: 0.471
Balestrini A, Joseph V, Dourado M, Reese RM, Shields SD, Rouge L, Bravo DD, Chernov-Rogan T, Austin CD, Chen H, Wang L, Villemure E, Shore DGM, Verma VA, Hu B, Chen Y, Leong L, Bjornson C, Hotzel K, Gogineni A, Lee WP, Suto E, Wu X, Liu J, Zhang J, Gandham V, Wang J, Payandeh J, Ciferri C, Estevez A, Arthur CP, Kortmann J, Wong RL, Heredia JE, Doerr J, Jung M, Vander Heiden JA, Roose-Girma M, Tam L, Barck KH, Carano RAD, Ding HT, Brillantes B, Tam C, Yang X, Gao SS, Ly JQ, Liu L, Chen L, Liederer BM, Lin JH, Magnuson S, Chen J, Hackos DH, Elstrott J, Rohou A, Safina BS, Volgraf M, Bauer RN, Riol-Blanco L
J Exp Med (2021) 218 [ DOI: doi:10.1084/jem.20201637 Pubmed: 33620419 ]
- Transient receptor potential cation channel subfamily a member 1 (72 kDa, Protein from Homo sapiens)
- (4r,5s)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-n-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-l-prolinamide (609 Da, Ligand)
- Trpa1 bound by inhibitor gdc-0334 (Complex from Homo sapiens)
Structure of human TRPA1 in complex with agonist GNE551
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 6x2j
Q-score: 0.509
Liu C, Reese R, Vu S, Rouge L, Shields SD, Kakiuchi-Kiyota S, Chen H, Johnson K, Shi YP, Chernov-Rogan T, Greiner DMZ, Kohli PB, Hackos D, Brillantes B, Tam C, Li T, Wang J, Safina B, Magnuson S, Volgraf M, Payandeh J, Zheng J, Rohou A, Chen J
Neuron (2021) 109 pp. 273-284.e4 [ Pubmed: 33152265 DOI: doi:10.1016/j.neuron.2020.10.014 ]
50S ribosomal subunit without free 5S rRNA and perturbed PTC
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 6wnt
Q-score: 0.425
Huang S, Aleksashin NA, Loveland AB, Klepacki D, Reier K, Kefi A, Szal T, Remme J, Jaeger L, Vazquez-Laslop N, Korostelev AA, Mankin AS
Nat Commun (2020) 11 pp. 2900-2900 [ DOI: doi:10.1038/s41467-020-16694-8 Pubmed: 32518240 ]
- 50s ribosomal protein l14 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l29 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l13 (16 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l31 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l28 (8 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l5 (20 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l6 (18 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l1 (23 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l32 (6 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l36 (4 kDa, Protein from Escherichia coli)
- 23s-5s joint ribosomal rna (982 kDa, RNA from Escherichia coli)
- 50s ribosomal protein l20 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l35 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l23 (10 kDa, Protein from Escherichia coli)
- 50s ribosomal subunit without free 5s rrna and perturbed ptc (1 MDa, Complex from Escherichia coli)
- 50s ribosomal protein l10 (14 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l34 (5 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l30 (6 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l22 (12 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l21 (11 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l19 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l15 (14 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l2 (29 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l4 (22 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l9 (15 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l25 (10 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l11 (14 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l3 (22 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l27 (8 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l17 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l18 (12 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l24 (11 kDa, Protein from Escherichia coli)
70S ribosome without free 5S rRNA and with a perturbed PTC
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 6wnv
Q-score: 0.383
Huang S, Aleksashin NA, Loveland AB, Klepacki D, Reier K, Kefi A, Szal T, Remme J, Jaeger L, Vazquez-Laslop N, Korostelev AA, Mankin AS
Nat Commun (2020) 11 pp. 2900-2900 [ DOI: doi:10.1038/s41467-020-16694-8 Pubmed: 32518240 ]
- 30s ribosomal protein s3 (23 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l14 (13 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s11 (12 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s18 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l29 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l13 (16 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l31 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l28 (8 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s19 (9 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l5 (20 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l6 (18 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l1 (23 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l32 (6 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l36 (4 kDa, Protein from Escherichia coli)
- 23s-5s joint ribosomal rna (982 kDa, RNA from Escherichia coli)
- 50s ribosomal protein l20 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l35 (7 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s7 (16 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l23 (10 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l10 (14 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s13 (12 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s12 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l34 (5 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s15 (10 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s14 (11 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s16 (9 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s21 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l30 (6 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l22 (12 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l21 (11 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s8 (14 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l19 (13 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s9 (14 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l15 (14 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s17 (9 kDa, Protein from Escherichia coli)
- 16s ribosomal rna (498 kDa, RNA from Escherichia coli)
- 50s ribosomal protein l2 (29 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s20 (9 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s4 (23 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s2 (25 kDa, Protein from Escherichia coli)
- 70s ribosome without free 5s rrna and with perturbed ptc (2 MDa, Complex from Escherichia coli)
- 50s ribosomal protein l4 (22 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l9 (15 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s5 (16 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s10 (11 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l25 (10 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l11 (14 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s6 (11 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l3 (22 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l27 (8 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l17 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l18 (12 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l24 (11 kDa, Protein from Escherichia coli)
Active 70S ribosome without free 5S rRNA and bound with A- and P- tRNA
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 6wnw
Q-score: 0.43
Huang S, Aleksashin NA, Loveland AB, Klepacki D, Reier K, Kefi A, Szal T, Remme J, Jaeger L, Vazquez-Laslop N, Korostelev AA, Mankin AS
Nat Commun (2020) 11 pp. 2900-2900 [ DOI: doi:10.1038/s41467-020-16694-8 Pubmed: 32518240 ]
- 30s ribosomal protein s3 (23 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l14 (13 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s11 (12 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s18 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l29 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l13 (16 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l31 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l16 (15 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l28 (8 kDa, Protein from Escherichia coli)
- Mrna (3 kDa, RNA from Escherichia coli)
- 30s ribosomal protein s19 (9 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l5 (20 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l6 (18 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l1 (23 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l32 (6 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l36 (4 kDa, Protein from Escherichia coli)
- 23s-5s joint ribosomal rna (982 kDa, RNA from Escherichia coli)
- 50s ribosomal protein l20 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l35 (7 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s7 (16 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l23 (10 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l10 (14 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s13 (12 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s12 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l34 (5 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s15 (10 kDa, Protein from Escherichia coli)
- Trnaphe (24 kDa, RNA from Escherichia coli)
- 30s ribosomal protein s14 (11 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s16 (9 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s21 (7 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l30 (6 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l22 (12 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l21 (11 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s8 (14 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l19 (13 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s9 (14 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l15 (14 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s17 (9 kDa, Protein from Escherichia coli)
- 16s ribosomal rna (498 kDa, RNA from Escherichia coli)
- 50s ribosomal protein l2 (29 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s20 (9 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s4 (23 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s2 (25 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l4 (22 kDa, Protein from Escherichia coli)
- Trnafmet (24 kDa, RNA from Escherichia coli)
- 50s ribosomal protein l9 (15 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s5 (16 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s10 (11 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l33 (5 kDa, Protein from Escherichia coli)
- Active 70s ribosome without free 5s rrna and bound with a- and p- trna (2 MDa, Complex from Escherichia coli)
- 50s ribosomal protein l25 (10 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l11 (14 kDa, Protein from Escherichia coli)
- 30s ribosomal protein s6 (11 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l3 (22 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l27 (8 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l17 (13 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l18 (12 kDa, Protein from Escherichia coli)
- 50s ribosomal protein l24 (11 kDa, Protein from Escherichia coli)