(Composite) - "Mechanism of dual pharmacological correction and potentiation of human CFTR"
Wang C, Yang Z, Loughlin BJ, Xu H, Veit G, Vorobiev S, Clarke OB, Jiang F, Li Y, Singh S, Rich Z, Menten ER, Grassucci RA, Wang W, Mezzell A, Fu Z, Wong K, Wetmore DR, Sutton RB, Brouillette CG, Urbatsch IL, Kappes JC, Lukacs GL, Frank J, Hunt JF, Cohen BM
To Be Published
- Human cftr (Protein from Homo sapiens)
- Cystic fibrosis transmembrane conductance regulator(cftr) (160 kDa, Complex from Homo sapiens)
(Consensus Map) - "Mechanism of dual pharmacological correction and potentiation of human CFTR"
Wang C, Yang Z, Loughlin BJ, Xu H, Veit G, Vorobiev S, Clarke OB, Jiang F, Li Y, Singh S, Rich Z, Menten ER, Grassucci RA, Wang W, Mezzell A, Fu Z, Wong K, Wetmore DR, Sutton RB, Brouillette CG, Urbatsch IL, Kappes JC, Lukacs GL, Frank J, Hunt JF, Cohen BM
To Be Published
- Human cftr (Protein from Homo sapiens)
- Cystic fibrosis transmembrane conductance regulator(cftr) (160 kDa, Complex from Homo sapiens)
Nygaard R, Graham CLB, Belcher Dufrisne M, Colburn JD, Pepe J, Hydorn MA, Corradi S, Brown CM, Ashraf KU, Vickery ON, Briggs NS, Deering JJ, Kloss B, Botta B, Clarke OB, Columbus L, Dworkin J, Stansfeld PJ, Roper DI, Mancia F
Nat Commun (2023) 14 pp. 5151-5151 [ Pubmed: 37620344 DOI: doi:10.1038/s41467-023-40483-8 ]
- Roda-pbp2 (111 kDa, Complex from Escherichia coli)
Nygaard R, Graham CLB, Belcher Dufrisne M, Colburn JD, Pepe J, Hydorn MA, Corradi S, Brown CM, Ashraf KU, Vickery ON, Briggs NS, Deering JJ, Kloss B, Botta B, Clarke OB, Columbus L, Dworkin J, Stansfeld PJ, Roper DI, Mancia F
Nat Commun (2023) 14 pp. 5151-5151 [ Pubmed: 37620344 DOI: doi:10.1038/s41467-023-40483-8 ]
- Roda-pbp2 (111 kDa, Complex from Escherichia coli)
A drug and ATP binding site in type 1 ryanodine receptor
Resolution: 2.45 Å
EM Method: Single-particle
Fitted PDBs: 7tzc
Q-score: 0.54
Melville Z, Dridi H, Yuan Q, Reiken S, Wronska A, Liu Y, Clarke OB, Marks AR
Structure (2022) 30 pp. 1025- [ Pubmed: 35580609 DOI: doi:10.1016/j.str.2022.04.010 ]
- Calmodulin-1 (16 kDa, Protein from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- (2s)-3-(octadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (788 Da, Ligand)
- Ryanodine receptor 1 complex with calmodulin and calstabin-1 (2 MDa, Complex from Oryctolagus cuniculus)
- Peptidyl-prolyl cis-trans isomerase fkbp1a (11 kDa, Protein from Oryctolagus cuniculus)
- Zinc ion (65 Da, Ligand)
- Ryanodine receptor 1 (565 kDa, Protein from Oryctolagus cuniculus)
- Caffeine (194 Da, Ligand)
- 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5h)-yl)methyl]benzoic acid (329 Da, Ligand)
- Calcium ion (40 Da, Ligand)
Structure of positive allosteric modulator-bound active human calcium-sensing receptor
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7sil
Q-score: 0.562
Park J, Zuo H, Frangaj A, Fu Z, Yen LY, Zhang Z, Mosyak L, Slavkovich VN, Liu J, Ray KM, Cao B, Vallese F, Geng Y, Chen S, Grassucci R, Dandey VP, Tan YZ, Eng E, Lee Y, Kloss B, Liu Z, Hendrickson WA, Potter CS, Carragher B, Graziano J, Conigrave AD, Frank J, Clarke OB, Fan QR
PNAS (2021) 118 [ Pubmed: 34916296 DOI: doi:10.1073/pnas.2115849118 ]
- Phosphate ion (94 Da, Ligand)
- Isoform 1 of extracellular calcium-sensing receptor (99 kDa, Protein from Homo sapiens)
- 3-(2-chlorophenyl)-n-[(1r)-1-(3-methoxyphenyl)ethyl]propan-1-amine (303 Da, Ligand)
- Cyclomethyltryptophan (216 Da, Ligand)
- Homodimer human calcium sensing receptor (192 kDa, Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Structure of positive allosteric modulator-free active human calcium-sensing receptor
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7sim
Q-score: 0.555
Park J, Zuo H, Frangaj A, Fu Z, Yen LY, Zhang Z, Mosyak L, Slavkovich VN, Liu J, Ray KM, Cao B, Vallese F, Geng Y, Chen S, Grassucci R, Dandey VP, Tan YZ, Eng E, Lee Y, Kloss B, Liu Z, Hendrickson WA, Potter CS, Carragher B, Graziano J, Conigrave AD, Frank J, Clarke OB, Fan QR
PNAS (2021) 118 [ Pubmed: 34916296 DOI: doi:10.1073/pnas.2115849118 ]
- Phosphate ion (94 Da, Ligand)
- Isoform 1 of extracellular calcium-sensing receptor (99 kDa, Protein from Homo sapiens)
- Cyclomethyltryptophan (216 Da, Ligand)
- Homodimer human calcium sensing receptor (192 kDa, Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)