Author results

1HOV
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SOLUTION STRUCTURE OF A CATALYTIC DOMAIN OF MMP-2 COMPLEXED WITH SC-74020
Descriptor:MATRIX METALLOPROTEINASE-2, ZINC ION, CALCIUM ION, ...
Authors:Feng, Y., Likos, J.J., Zhu, L., Woodward, H., Munie, G., McDonald, J.J., Stevens, A.M., Howard, C.P., De Crescenzo, G.A., Welsch, D., Shieh, H.-S., Stallings, W.C.
Deposit date:2000-12-11
Release date:2001-12-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the catalytic domain of matrix metalloproteinase-2 complexed with a hydroxamic acid inhibitor
Biochim.Biophys.Acta, 1598, 2002
4MEN
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 5-METHYL-TRIAZOLOPYRIMIDINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEO
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 2-METHYL-QUINOLINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide, ...
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEP
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3-CHLORO-PYRIDONE LIGAND
Descriptor:Bromodomain-containing protein 4, 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEQ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 5-METHYL-TRIAZOLOPYRIMIDINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
6YUW
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, ...
Authors:Ruza, R.R., Hillier, J., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
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.
To Be Published
6YUY
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, DIMETHYL SULFOXIDE, ...
Authors:Hillier, J., Ruza, R.R., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
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.
To Be Published
6YV0
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Ruza, R.R., Hillier, J., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-13
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.
To Be Published
6YV2
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, N-ACETYL-D-GLUCOSAMINE, (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, ...
Authors:Ruza, R.R., Hillier, J., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-13
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.
To Be Published
6YV4
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STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686
Descriptor:Palmitoleoyl-protein carboxylesterase NOTUM, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Hillier, J., Ruza, R.R., Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-06
Last modified:2020-06-03
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.
To Be Published