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PDB: 9 results

5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
Descriptor: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
Authors:Kohls, D, Xie, X.
Deposit date:2015-09-15
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
1QD1
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BU of 1qd1 by Molmil
THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE DOMAIN OF FORMIMINOTRANSFERASE-CYCLODEAMINASE.
Descriptor: FORMIMINOTRANSFERASE-CYCLODEAMINASE, GLYCEROL, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid
Authors:Kohls, D, Sulea, T, Purisima, E, MacKenzie, R.E, Vrielink, A.
Deposit date:1999-07-08
Release date:2000-01-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of the formiminotransferase domain of formiminotransferase-cyclodeaminase: implications for substrate channeling in a bifunctional enzyme.
Structure Fold.Des., 8, 2000
5WE8
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BU of 5we8 by Molmil
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
Descriptor: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-07
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
5WDY
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BU of 5wdy by Molmil
Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine (compound 6)
Descriptor: 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-06
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.458 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
1Z1L
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BU of 1z1l by Molmil
The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain
Descriptor: MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ...
Authors:Ding, Y.H, Kohls, D, Low, C.
Deposit date:2005-03-04
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System.
Biochemistry, 44, 2005
2RKU
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BU of 2rku by Molmil
Structure of PLK1 in complex with BI2536
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ...
Authors:Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
Deposit date:2007-10-17
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selectivity-determining residues in Plk1.
Chem.Biol.Drug Des., 70, 2007
2OU7
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BU of 2ou7 by Molmil
Structure of the Catalytic Domain of Human Polo-like Kinase 1
Descriptor: ACETATE ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
Deposit date:2007-02-09
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
2OWB
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BU of 2owb by Molmil
Structure of the Catalytic Domain of Human Polo-like Kinase 1
Descriptor: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
Deposit date:2007-02-15
Release date:2007-04-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
3RWQ
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BU of 3rwq by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
Descriptor: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Kazmirski, S, Kohls, D.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011

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