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6TR7
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BU of 6tr7 by Molmil
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide-Notum complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2019-12-17
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
6YSK
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BU of 6ysk by Molmil
1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum
分子名称: (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jones, E.Y, Fish, P.
登録日2020-04-22
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献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
6TR6
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BU of 6tr6 by Molmil
N-acetylserotonin-Notum complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2019-12-17
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
2BNQ
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BU of 2bnq by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ...
著者Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
登録日2005-03-31
公開日2005-05-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines
J.Exp.Med., 201, 2005
6TR5
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BU of 6tr5 by Molmil
Melatonin-Notum complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
著者Zhao, Y, Jones, E.Y.
登録日2019-12-17
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.509 Å)
主引用文献Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Hillier, J, Ruza, R.R, Jones, E.Y.
登録日2020-04-27
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
6ZUV
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BU of 6zuv by Molmil
Notum fragment 286
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-07-23
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
5L5N
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BU of 5l5n by Molmil
Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8.5 angstrom, spacegroup P4(3)22
分子名称: Plexin-A4
著者Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-05-28
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (8.502 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5G
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BU of 5l5g by Molmil
Plexin A2 full extracellular region, domains 1 to 8 modeled, data to 10 angstrom
分子名称: Plexin-A2
著者Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-05-28
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (10 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5M
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BU of 5l5m by Molmil
Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8 angstrom, spacegroup P4(3)2(1)2
分子名称: Plexin-A4
著者Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-05-28
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (8 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L74
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BU of 5l74 by Molmil
Plexin A2 extracellular segment domains 4-5 (PSI2-IPT2), resolution 1.36 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Plexin-A2, ...
著者Kong, Y, Janssen, B.J.C, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-06-01
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L59
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BU of 5l59 by Molmil
Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P2(1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-05-28
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5K
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BU of 5l5k by Molmil
Plexin A4 full extracellular region, domains 1 to 10, data to 7.5 angstrom, spacegroup P4(1)
分子名称: Plexin-A4
著者Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-05-28
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (7.501 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5L
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BU of 5l5l by Molmil
Plexin A4 full extracellular region, domains 1 to 8 modeled, data to 8 angstrom, spacegroup P2(1)
分子名称: Plexin-A4
著者Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-05-28
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (8.001 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L7N
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BU of 5l7n by Molmil
Plexin A1 extracellular fragment, domains 7-10 (IPT3-IPT6)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Kong, Y, Janssen, B.J.C, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-06-03
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L56
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BU of 5l56 by Molmil
Plexin A1 full extracellular region, domains 1 to 10, to 4 angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
登録日2016-05-28
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
6FKM
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BU of 6fkm by Molmil
Drosophila Plexin A in complex with Semaphorin 1b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MIP07328p, Plexin A, ...
著者Rozbesky, D, Harlos, K, Jones, E.Y.
登録日2018-01-24
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Structural basis of semaphorin-plexin cis interaction.
Embo J., 2020
6GGM
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BU of 6ggm by Molmil
HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe.
分子名称: Beta-2-microglobulin, MHC class I antigen, Mtb44*P2-Phe peptide variant (ARG-PHE-PRO-ALA-LYS-ALA-PRO-LEU-LEU), ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-03
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
6GH4
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BU of 6gh4 by Molmil
HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Gln.
分子名称: ARG-GLN-PRO-ALA-LYS-ALA-PRO-LEU-LEU, Beta-2-microglobulin, MHC class I antigen, ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
6GH1
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BU of 6gh1 by Molmil
HLA-E*01:03 in complex with Mtb44
分子名称: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], MHC class I antigen, ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
6FKK
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BU of 6fkk by Molmil
Drosophila Semaphorin 1b, extracellular domains 1-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MIP07328p, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rozbesky, D, Harlos, K, Jones, E.Y.
登録日2018-01-24
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
6FKN
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BU of 6fkn by Molmil
Drosophila Plexin A in complex with Semaphorin 1b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MIP07328p, Plexin A, ...
著者Rozbesky, D, Harlos, K, Jones, E.Y.
登録日2018-01-24
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.801 Å)
主引用文献Structural basis of semaphorin-plexin cis interaction.
Embo J., 2020
6GBI
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BU of 6gbi by Molmil
Wnt signalling
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ly6/PLAUR domain-containing protein 6, ...
著者Zhao, Y, Jones, E.Y.
登録日2018-04-14
公開日2018-08-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the Wnt signaling enhancer LYPD6 and its interactions with the Wnt coreceptor LRP6.
FEBS Lett., 592, 2018
6GHN
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BU of 6ghn by Molmil
HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P9-Phe.
分子名称: ARG-LEU-PRO-ALA-LYS-ALA-PRO-LEU-PHE, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-08
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.542 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
6GL1
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BU of 6gl1 by Molmil
HLA-E*01:03 in complex with the HIV epitope, RL9HIV
分子名称: ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU, Beta-2-microglobulin, MHC class I antigen, ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-22
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018

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