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 ]
- 5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid (330 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Phosphorylated nkcc1_k289na492e in complex with furosemide (Complex from Homo sapiens)
- Solute carrier family 12 member 2 (131 kDa, Protein from Homo sapiens)
- Potassium ion (39 Da, Ligand)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 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 ]
- Phosphorylated human nkcc1 in complex with torsemide (Complex from Homo sapiens)
- Water (18 Da, Ligand)
- Solute carrier family 12 member 2 (131 kDa, Protein from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- 4-(3-methylanilino)-n-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide (348 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 ]
- Phosphorylated human nkcc1 in complex with bumetanide (Complex from Homo sapiens)
- Solute carrier family 12 member 2 (131 kDa, Protein from Homo sapiens)
- Potassium ion (39 Da, Ligand)
- 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (364 Da, Ligand)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
Human potassium-chloride cotransporter 1 in inward-open state
Resolution: 3.25 Å
EM Method: Single-particle
Fitted PDBs: 7tth
Q-score: 0.463
Zhao Y, Shen J, Wang Q, Ruiz Munevar MJ, Vidossich P, De Vivo M, Zhou M, Cao E
PNAS (2022) 119 pp. e2109083119-e2109083119 [ Pubmed: 35759661 DOI: doi:10.1073/pnas.2109083119 ]
- Potassium ion (39 Da, Ligand)
- Human potassium-chloride cotransporter 1 (Complex from Homo sapiens)
- Solute carrier family 12 member 4 (120 kDa, Protein from Homo sapiens)
Human KCC1 bound with VU0463271 In an outward-open state
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 7tti
Q-score: 0.442
Zhao Y, Shen J, Wang Q, Ruiz Munevar MJ, Vidossich P, De Vivo M, Zhou M, Cao E
PNAS (2022) 119 pp. e2109083119-e2109083119 [ Pubmed: 35759661 DOI: doi:10.1073/pnas.2109083119 ]
Cryo-EM structure of human NKCC1 K289NA492EL671C bound with bumetanide
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7s1x
Q-score: 0.515
Zhao Y, Roy K, Vidossich P, Cancedda L, De Vivo M, Forbush B, Cao E
Nat Commun (2022) 13 pp. 2747- [ DOI: doi:10.1038/s41467-022-30407-3 ]
- Potassium ion (39 Da, Ligand)
- 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (364 Da, Ligand)
- Solute carrier family 12 member 2 (131 kDa, Protein from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Human nkcc1 k289na492el671c bound with bumetanide (263 kDa, Complex from Homo sapiens)
Cryo-EM structure of Human NKCC1 K289NA492EL671C
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 7s1z
Q-score: 0.404
Zhao Y, Roy K, Vidossich P, Cancedda L, De Vivo M, Forbush B, Cao E
Nat Commun (2022) 13 pp. 2747- [ DOI: doi:10.1038/s41467-022-30407-3 ]
- Human nkcc1 k289na492el671c (Complex from Homo sapiens)
- Solute carrier family 12 member 2 (131 kDa, Protein from Homo sapiens)