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PDB: 381 results

5FWT
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BU of 5fwt by Molmil
Wnt modulator Kremen crystal form I at 2.10A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, KREMEN PROTEIN 1, ...
Authors:Zebisch, M, Jackson, V.A, Jones, E.Y.
Deposit date:2016-02-21
Release date:2016-07-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf
Structure, 24, 2016
3SUA
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BU of 3sua by Molmil
Crystal structure of the intracellular domain of Plexin-B1 in complex with Rac1
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-B1, ...
Authors:Bell, C.H, Aricescu, A.R, Jones, E.Y, Siebold, C.
Deposit date:2011-07-11
Release date:2011-09-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.39 Å)
Cite:A Dual Binding Mode for RhoGTPases in Plexin Signalling.
Plos Biol., 9, 2011
3SU8
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BU of 3su8 by Molmil
Crystal structure of a truncated intracellular domain of Plexin-B1 in complex with Rac1
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-B1, ...
Authors:Bell, C.H, Aricescu, A.R, Jones, E.Y, Siebold, C.
Deposit date:2011-07-11
Release date:2011-09-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A Dual Binding Mode for RhoGTPases in Plexin Signalling.
Plos Biol., 9, 2011
4UFS
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BU of 4ufs by Molmil
Low resolution structure R-spondin-2 (Fu1Fu2) in complex with the ectodomains of LGR5 and ZNRF3
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5, R-SPONDIN-2
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2015-03-18
Release date:2015-07-08
Last modified:2015-08-12
Method:X-RAY DIFFRACTION (4.8 Å)
Cite:Crystal Structure of R-Spondin 2 in Complex with the Ectodomains of its Receptors Lgr5 and Znrf3.
J.Struct.Biol., 191, 2015
3X1O
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BU of 3x1o by Molmil
Crystal structure of the ROQ domain of human Roquin
Descriptor: IODIDE ION, Roquin-1
Authors:Ose, T, Verma, A, Cockburn, J.B, Berrow, N.S, Alderton, D, Stuart, D, Owens, R.J, Jones, E.Y.
Deposit date:2014-11-26
Release date:2015-03-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Roquin binds microRNA-146a and Argonaute2 to regulate microRNA homeostasis
Nat Commun, 6, 2015
6XTZ
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BU of 6xtz by Molmil
Structure of Dally-like protein in complex with O-palmitoleoyl serine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dally-like, ...
Authors:Vecchia, L, Jones, E.Y.
Deposit date:2020-01-16
Release date:2020-07-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Glypicans shield the Wnt lipid moiety to enable signalling at a distance.
Nature, 585, 2020
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:2024-10-23
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:2024-10-09
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:2024-10-23
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:2024-10-16
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
6ZYF
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BU of 6zyf by Molmil
Notum_Ghrelin complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-07-31
Release date:2021-03-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Notum deacylates octanoylated ghrelin.
Mol Metab, 49, 2021
2L21
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BU of 2l21 by Molmil
chicken IGF2R domain 11
Descriptor: Cation-independent mannose-6-phosphate receptor
Authors:Williams, C, Hoppe, H, Strickland, M, Frago, S, Ellis, R.Z, Wattana-Amorn, P, Prince, S.N, Zaccheo, O.J, Forbes, B, Jones, E.Y, Rezgui, D.Z, Crump, M.P, Hassan, A.B.
Deposit date:2010-08-10
Release date:2012-02-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:CD loop dependency of the IGF2: M6P/IGF2 receptor binding interaction predates imprinting
To be Published
2L29
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BU of 2l29 by Molmil
Complex structure of E4 mutant human IGF2R domain 11 bound to IGF-II
Descriptor: Insulin-like growth factor 2 receptor variant, Insulin-like growth factor II
Authors:Williams, C, Hoppe, H, Rezgui, D, Strickland, M, Frago, S, Ellis, R.Z, Wattana-Amorn, P, Prince, S.N, Zaccheo, O.J, Forbes, B, Jones, E.Y, Crump, M.P, Hassan, A.B.
Deposit date:2010-08-13
Release date:2012-02-15
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution.
Science, 338, 2012
7ARG
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BU of 7arg by Molmil
Notum in complex with ARUK3002704
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-10-24
Release date:2021-08-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B3X
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BU of 7b3x by Molmil
Notum complex with ARUK3003748
Descriptor: 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Fish, P, Jones, E.Y.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B3I
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BU of 7b3i by Molmil
Notum complex with ARUK3003776
Descriptor: 1,2-ETHANEDIOL, 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y, Fish, P.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B3H
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BU of 7b3h by Molmil
Notum complex with ARUK3003909
Descriptor: 1,2-ETHANEDIOL, 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y, Fish, P.
Deposit date:2020-11-30
Release date:2021-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B3P
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BU of 7b3p by Molmil
Notum complex with ARUK3003775
Descriptor: 1,2-ETHANEDIOL, 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y, Fish, P.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B45
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BU of 7b45 by Molmil
Notum complex with ARUK3003934
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one, ...
Authors:Fish, P, Jones, E.Y.
Deposit date:2020-12-02
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
6ZUV
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BU of 6zuv by Molmil
Notum fragment 286
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-07-23
Release date:2020-11-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
7B99
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BU of 7b99 by Molmil
Notum Fragment 283
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B9I
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BU of 7b9i by Molmil
Notum Fragment 297
Descriptor: 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022

226707

數據於2024-10-30公開中

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