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PDB: 7 results

6YUW
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BU of 6yuw by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454
Descriptor: 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Ruza, R.R, Hillier, J, Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YV2
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BU of 6yv2 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598
Descriptor: (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ruza, R.R, Hillier, J, Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YXI
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BU of 6yxi by Molmil
Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchia, L, Jones, E.Y, Ruza, R.R, Hillier, J, Zhao, Y.
Deposit date:2020-05-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YV4
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BU of 6yv4 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686
Descriptor: 1,2-ETHANEDIOL, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hillier, J, Ruza, R.R, Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YV0
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BU of 6yv0 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587
Descriptor: (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ruza, R.R, Hillier, J, Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YUY
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BU of 6yuy by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Hillier, J, Ruza, R.R, Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YSK
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BU of 6ysk by Molmil
1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum
Descriptor: (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Jones, E.Y, Fish, P.
Deposit date:2020-04-22
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020

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