7PJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pjr by Molmil](/molmil-images/mine/7pjr) | Notum_ARUK3000438 | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Zhao, Y, Fish, P, Jones, E.Y. | Deposit date: | 2021-08-24 | Release date: | 2022-09-07 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65, 2022
|
|
7PK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pk3 by Molmil](/molmil-images/mine/7pk3) | Notum_ARUK3001185 | Descriptor: | 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y. | Deposit date: | 2021-08-25 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65, 2022
|
|
7PKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pkv by Molmil](/molmil-images/mine/7pkv) | Notum_Inhibitor ARUK3000223 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R, Zhao, Y, Fish, P, Jones, E.Y. | Deposit date: | 2021-08-26 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65, 2022
|
|
3GJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gjf by Molmil](/molmil-images/mine/3gjf) | Rational development of high-affinity T-cell receptor-like antibodies | Descriptor: | Antibody heavy chain, Antibody light chain, Beta-2-microglobulin, ... | Authors: | Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E, Kleber, S, Stenner-Liewen, F, Bauer, S, McMichael, A, Knuth, A, Abken, H, Hombach, A.A, Cerundolo, V, Jones, E.Y, Renner, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational development of high-affinity T-cell receptor-like antibodies Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3GIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3giv by Molmil](/molmil-images/mine/3giv) | Antigen processing influences HIV-specific cytotoxic T lymphocyte immunodominance | Descriptor: | Beta-2-microglobulin, HIV-1 peptide, HLA class I histocompatibility antigen, ... | Authors: | Stewart-Jones, G, Iversen, A.K.N, Jones, E.Y. | Deposit date: | 2009-03-06 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antigen processing influences HIV-specific cytotoxic T lymphocyte immunodominance Nat.Immunol., 10, 2009
|
|
3GJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gje by Molmil](/molmil-images/mine/3gje) | Rational development of high-affinity T-cell receptor-like antibodies | Descriptor: | Fab Heavy Chain, Fab Light Chain | Authors: | Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E, Kleber, S, Stenner-Liewen, F, Bauer, S, McMichael, A, Knuth, A, Abken, H, Hombach, A.A, Cerundolo, V, Jones, E.Y, Renner, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational development of high-affinity T-cell receptor-like antibodies Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
2YPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ypk by Molmil](/molmil-images/mine/2ypk) | Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-57 ALPHA CHAIN, ... | Authors: | Stewart-Jones, G.B, Simpson, P, Van Der Merwe, P.A, Easterbrook, P, Mcmichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. | Deposit date: | 2012-10-30 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2YPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ypl by Molmil](/molmil-images/mine/2ypl) | Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms | Descriptor: | AGA T-CELL RECEPTOR ALPHA CHAIN, AGA T-CELL RECEPTOR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | Authors: | Stewart-Jones, G.B, Simpson, P, van der Merwe, P.A, Easterbrook, P, McMichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. | Deposit date: | 2012-10-30 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
7B3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b3g by Molmil](/molmil-images/mine/7b3g) | Notum complex with ARUK3003902 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, ... | Authors: | Zhao, Y, Jone, E.Y. | 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
|
|
7B2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b2z by Molmil](/molmil-images/mine/7b2z) | Notum complex with ARUK3003907 | Descriptor: | DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
|
|
7B37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b37 by Molmil](/molmil-images/mine/7b37) | Notum complex with ARUK3003718 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
|
|
7B2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b2y by Molmil](/molmil-images/mine/7b2y) | Notum complex with ARUK3003910 | Descriptor: | 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
|
|
7B2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b2v by Molmil](/molmil-images/mine/7b2v) | Notum complex with ARUK3003906 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
|
|
7B3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b3f by Molmil](/molmil-images/mine/7b3f) | Notum S232A in complex with ARUK3003718 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ... | Authors: | Zhao, Y, Jone, E.Y. | Deposit date: | 2020-11-30 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural Insights into Notum Covalent Inhibition. J.Med.Chem., 64, 2021
|
|
2BVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bvo by Molmil](/molmil-images/mine/2bvo) | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | Descriptor: | BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | Deposit date: | 2005-07-01 | Release date: | 2005-09-13 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression. J Immunol., 175, 2005
|
|
2BVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bvp by Molmil](/molmil-images/mine/2bvp) | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | Descriptor: | BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | Deposit date: | 2005-07-01 | Release date: | 2005-09-07 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression. J Immunol., 175, 2005
|
|
1OGA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oga by Molmil](/molmil-images/mine/1oga) | A structural basis for immunodominant human T-cell receptor recognition. | Descriptor: | BETA-2-MICROGLOBULIN, GILGFVFTL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Stewart-Jones, G.B.E, McMichael, A.J, Bell, J.I, Stuart, D.I, Jones, E.Y. | Deposit date: | 2003-04-28 | Release date: | 2003-06-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Structural Basis for Immunodominant Human T Cell Receptor Recognition Nat.Immunol., 4, 2003
|
|
2BVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bvq by Molmil](/molmil-images/mine/2bvq) | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | Descriptor: | BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | Deposit date: | 2005-07-01 | Release date: | 2005-09-07 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression. J Immunol., 175, 2005
|
|
6QP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qp7 by Molmil](/molmil-images/mine/6qp7) | Drosophila Semaphorin 2a | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y. | Deposit date: | 2019-02-13 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning. Nat Commun, 10, 2019
|
|
6QP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qp8 by Molmil](/molmil-images/mine/6qp8) | Drosophila Semaphorin 2b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ... | Authors: | Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y. | Deposit date: | 2019-02-13 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning. Nat Commun, 10, 2019
|
|
6QP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qp9 by Molmil](/molmil-images/mine/6qp9) | Drosophila Semaphorin 1a, 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, Semaphorin-1A | Authors: | Rozbesky, D, Robinson, R.A, Harlos, K, Siebold, C, Jones, E.Y. | Deposit date: | 2019-02-13 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning. Nat Commun, 10, 2019
|
|
6R8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r8p by Molmil](/molmil-images/mine/6r8p) | Notum fragment 723 | Descriptor: | 2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
|
|
4V2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v2b by Molmil](/molmil-images/mine/4v2b) | rat Unc5D Ig domain 1 | Descriptor: | PROTEIN UNC5D | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | Deposit date: | 2014-10-08 | Release date: | 2014-11-05 | Last modified: | 2015-07-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development Neuron, 84, 2014
|
|
4UZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uz1 by Molmil](/molmil-images/mine/4uz1) | |
4UYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uyz by Molmil](/molmil-images/mine/4uyz) | |