Phosphorylated human NKCC1_K289NA492E in complex with furosemide
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 9c0e
Q-score: 0.6
Zhao Y, Vidossich P, Forbush B, Ma J, Rinehart J, De Vivo M, Cao E
EMBO J (2025) [ Pubmed: 39875725 DOI: doi:10.1038/s44318-025-00368-6 ]
- Potassium ion (39 Da, Ligand)
- 5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid (330 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Phosphorylated nkcc1_k289na492e in complex with furosemide (Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Solute carrier family 12 member 2 (131 kDa, Protein from Homo sapiens)
- Chloride ion (35 Da, Ligand)
Phosphorylated human NKCC1 in complex with torsemide
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 9c0g
Q-score: 0.591
Zhao Y, Vidossich P, Forbush B, Ma J, Rinehart J, De Vivo M, Cao E
EMBO J (2025) [ Pubmed: 39875725 DOI: doi:10.1038/s44318-025-00368-6 ]
- Solute carrier family 12 member 2 (131 kDa, Protein from Homo sapiens)
- Phosphorylated human nkcc1 in complex with torsemide (Complex from Homo sapiens)
- Sodium ion (22 Da, Ligand)
- Water (18 Da, Ligand)
- 4-(3-methylanilino)-n-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide (348 Da, Ligand)
- Chloride ion (35 Da, Ligand)
Phosphorylated human NKCC1 in complex with bumetanide
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 9c0h
Q-score: 0.602
Zhao Y, Vidossich P, Forbush B, Ma J, Rinehart J, De Vivo M, Cao E
EMBO J (2025) [ Pubmed: 39875725 DOI: doi:10.1038/s44318-025-00368-6 ]
- 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (364 Da, Ligand)
- Potassium ion (39 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Phosphorylated human nkcc1 in complex with bumetanide (Complex from Homo sapiens)
- Solute carrier family 12 member 2 (131 kDa, Protein from Homo sapiens)
- Chloride ion (35 Da, Ligand)
Phosphorylated human NCC in complex with indapamide
Zhao Y, Schubert H, Blakely A, Forbush B, Smith MD, Rinehart J, Cao E
Nat Commun (2024) 15 pp. 7006-7006 [ Pubmed: 39143061 DOI: doi:10.1038/s41467-024-51381-y ]
- Solute carrier family 12 member 3 (113 kDa, Protein from Homo sapiens)
- 4-chloro-n-[(2s)-2-methyl-2,3-dihydro-1h-indol-1-yl]-3-sulfamoylbenzamide (365 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Phosphorylated human ncc in complex with indapamide (Complex from Homo sapiens)
- Solute carrier family 12 member 3 (113 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Phosphorylated human NCC in complex with chlorthalidone
Zhao Y, Schubert H, Blakely A, Forbush B, Smith MD, Rinehart J, Cao E
Nat Commun (2024) 15 pp. 7006-7006 [ Pubmed: 39143061 DOI: doi:10.1038/s41467-024-51381-y ]
- Solute carrier family 12 member 3 (113 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Phosphorylated human ncc in complex with chlorthalidone (Complex from Homo sapiens)
- 2-chloro-5-[(1s)-1-hydroxy-3-oxo-2h-isoindol-1-yl]benzenesulfonamide (338 Da, Ligand)
Zhao Y, Schubert H, Blakely A, Forbush B, Smith MD, Rinehart J, Cao E
Nat Commun (2024) 15 pp. 7006-7006 [ Pubmed: 39143061 DOI: doi:10.1038/s41467-024-51381-y ]
- Solute carrier family 12 member 3 (113 kDa, Protein from Homo sapiens)
- Phosphorylated slc12a3 transporter in complex with hydrochlorothiazide (Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- 6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide (297 Da, Ligand)