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PDB: 8 results

4UIB
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BU of 4uib by Molmil
Crystal structure of 3p in complex with tafCPB
Descriptor: (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ...
Authors:Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C.
Deposit date:2015-03-27
Release date:2015-06-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
4UIA
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BU of 4uia by Molmil
Crystal structure of 3a in complex with tafCPB
Descriptor: (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION
Authors:Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C.
Deposit date:2015-03-27
Release date:2015-06-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
7PUE
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BU of 7pue by Molmil
Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a
Descriptor: 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Sgk1
Authors:Dreyer, M.K, Halland, N, Nazare, M.
Deposit date:2021-09-29
Release date:2021-12-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis.
J.Med.Chem., 65, 2022
3ZLW
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BU of 3zlw by Molmil
Crystal structure of MEK1 in complex with fragment 3
Descriptor: (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ...
Authors:Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
Deposit date:2013-02-04
Release date:2013-05-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLX
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BU of 3zlx by Molmil
Crystal structure of MEK1 in complex with fragment 18
Descriptor: 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
Authors:Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
Deposit date:2013-02-04
Release date:2013-05-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLS
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BU of 3zls by Molmil
Crystal structure of MEK1 in complex with fragment 6
Descriptor: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION
Authors:Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
Deposit date:2013-02-04
Release date:2013-05-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZM4
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BU of 3zm4 by Molmil
Crystal structure of MEK1 in complex with fragment 1
Descriptor: 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
Authors:Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
Deposit date:2013-02-05
Release date:2013-05-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLY
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BU of 3zly by Molmil
Crystal structure of MEK1 in complex with fragment 8
Descriptor: 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION
Authors:Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
Deposit date:2013-02-04
Release date:2013-05-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013

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