8BSP
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![BU of 8bsp by Molmil](/molmil-images/mine/8bsp) | Notum Inhibitor ARUK3006560 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-26 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BSR
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![BU of 8bsr by Molmil](/molmil-images/mine/8bsr) | Notum Inhibitor ARUK3006562 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-26 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BSQ
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![BU of 8bsq by Molmil](/molmil-images/mine/8bsq) | Notum Inhibitor ARUK3006561 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-26 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BT2
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![BU of 8bt2 by Molmil](/molmil-images/mine/8bt2) | Notum Inhibitor ARUK3004876 | Descriptor: | 1,2-ETHANEDIOL, 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-27 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTE
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![BU of 8bte by Molmil](/molmil-images/mine/8bte) | Notum Inhibitor ARUK3004470 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-28 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BT0
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![BU of 8bt0 by Molmil](/molmil-images/mine/8bt0) | Notum Inhibitor ARUK3005518 | Descriptor: | (3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-27 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BSZ
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![BU of 8bsz by Molmil](/molmil-images/mine/8bsz) | Notum Inhibitor ARUK3005522 | Descriptor: | (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-27 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTA
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![BU of 8bta by Molmil](/molmil-images/mine/8bta) | Notum Inhibitor ARUK3004308 | Descriptor: | 1,2-ETHANEDIOL, 1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-28 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTH
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![BU of 8bth by Molmil](/molmil-images/mine/8bth) | Notum Inhibitor ARUK3004552 | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-28 | Release date: | 2022-12-14 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BT8
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![BU of 8bt8 by Molmil](/molmil-images/mine/8bt8) | Notum Inhibitor ARUK3004048 | Descriptor: | 1,2-ETHANEDIOL, 1-indol-1-ylethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2022-11-28 | Release date: | 2022-12-28 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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3OL2
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![BU of 3ol2 by Molmil](/molmil-images/mine/3ol2) | Receptor-ligand structure of Human Semaphorin 4D with Plexin B1. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, ... | Authors: | Janssen, B.J.C, Robinson, R.A, Perez-Branguli, F, Bell, C.H, Mitchell, C.J, Siebold, C, Jones, E.Y. | Deposit date: | 2010-08-25 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis of semaphorin-plexin signalling. Nature, 467, 2010
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3P5J
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![BU of 3p5j by Molmil](/molmil-images/mine/3p5j) | |
3OKY
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![BU of 3oky by Molmil](/molmil-images/mine/3oky) | Plexin A2 in complex with Semaphorin 6A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | Deposit date: | 2010-08-25 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Structural basis of semaphorin-plexin signalling. Nature, 467, 2010
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3P87
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![BU of 3p87 by Molmil](/molmil-images/mine/3p87) | Structure of human PCNA bound to RNASEH2B PIP box peptide | Descriptor: | Proliferating cell nuclear antigen, Ribonuclease H2 subunit B | Authors: | Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P. | Deposit date: | 2010-10-13 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | PCNA directs type 2 RNase H activity on DNA replication and repair substrates. Nucleic Acids Res., 39, 2011
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3P83
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![BU of 3p83 by Molmil](/molmil-images/mine/3p83) | Structure of the PCNA:RNase HII complex from Archaeoglobus fulgidus. | Descriptor: | DNA polymerase sliding clamp, Ribonuclease HII | Authors: | Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P. | Deposit date: | 2010-10-13 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | PCNA directs type 2 RNase H activity on DNA replication and repair substrates. Nucleic Acids Res., 39, 2011
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3OKT
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![BU of 3okt by Molmil](/molmil-images/mine/3okt) | Mouse Plexin A2, extracellular domains 1-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | Deposit date: | 2010-08-25 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Structural basis of semaphorin-plexin signalling. Nature, 467, 2010
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3OKW
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![BU of 3okw by Molmil](/molmil-images/mine/3okw) | Mouse Semaphorin 6A, extracellular domains 1-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | Deposit date: | 2010-08-25 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural basis of semaphorin-plexin signalling. Nature, 467, 2010
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3P56
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![BU of 3p56 by Molmil](/molmil-images/mine/3p56) | |
6FKM
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![BU of 6fkm by Molmil](/molmil-images/mine/6fkm) | |
6GGM
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![BU of 6ggm by Molmil](/molmil-images/mine/6ggm) | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe. | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Mtb44*P2-Phe peptide variant (ARG-PHE-PRO-ALA-LYS-ALA-PRO-LEU-LEU), ... | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | Deposit date: | 2018-05-03 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.734 Å) | Cite: | 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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6GH4
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![BU of 6gh4 by Molmil](/molmil-images/mine/6gh4) | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Gln. | Descriptor: | ARG-GLN-PRO-ALA-LYS-ALA-PRO-LEU-LEU, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | Deposit date: | 2018-05-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | 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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6GH1
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![BU of 6gh1 by Molmil](/molmil-images/mine/6gh1) | HLA-E*01:03 in complex with Mtb44 | Descriptor: | Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], MHC class I antigen, ... | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | Deposit date: | 2018-05-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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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6FKK
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![BU of 6fkk by Molmil](/molmil-images/mine/6fkk) | Drosophila Semaphorin 1b, extracellular domains 1-2 | Descriptor: | 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, ... | Authors: | Rozbesky, D, Harlos, K, Jones, E.Y. | Deposit date: | 2018-01-24 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning. Nat Commun, 10, 2019
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6FKN
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![BU of 6fkn by Molmil](/molmil-images/mine/6fkn) | |
6GBI
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![BU of 6gbi by Molmil](/molmil-images/mine/6gbi) | Wnt signalling | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ly6/PLAUR domain-containing protein 6, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2018-04-14 | Release date: | 2018-08-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of the Wnt signaling enhancer LYPD6 and its interactions with the Wnt coreceptor LRP6. FEBS Lett., 592, 2018
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