8CKL
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![BU of 8ckl by Molmil](/molmil-images/mine/8ckl) | Semaphorin-5A TSR 3-4 domains in complex with sucrose octasulfate (SOS) | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-2)-1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose, Semaphorin-5A, alpha-D-mannopyranose | Authors: | Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. | Deposit date: | 2023-02-15 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Semaphorin-5A TSR 3-4 domains in complex with sucrose octasulfate (SOS) To Be Published
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3P56
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![BU of 3p56 by Molmil](/molmil-images/mine/3p56) | |
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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2V5P
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![BU of 2v5p by Molmil](/molmil-images/mine/2v5p) | COMPLEX STRUCTURE OF HUMAN IGF2R DOMAINS 11-13 BOUND TO IGF-II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, INSULIN-LIKE GROWTH FACTOR II, ... | Authors: | Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y. | Deposit date: | 2007-07-06 | Release date: | 2007-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structure and Functional Analysis of the Igf-II/Igf2R Interaction Embo J., 27, 2008
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2V5Y
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![BU of 2v5y by Molmil](/molmil-images/mine/2v5y) | Crystal structure of the receptor protein tyrosine phosphatase mu ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE MU, SODIUM ION | Authors: | Aricescu, A.R, Siebold, C, Choudhuri, K, Chang, V.T, Lu, W, Davis, S.J, van der Merwe, P.A, Jones, E.Y. | Deposit date: | 2007-07-11 | Release date: | 2007-09-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of a Tyrosine Phosphatase Adhesive Interaction Reveals a Spacer-Clamp Mechanism. Science, 317, 2007
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2V5N
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![BU of 2v5n by Molmil](/molmil-images/mine/2v5n) | STRUCTURE OF HUMAN IGF2R DOMAINS 11-12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR | Authors: | Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y. | Deposit date: | 2007-07-06 | Release date: | 2007-12-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and Functional Analysis of the Igf-II/Igf2R Interaction Embo J., 27, 2008
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2V5O
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![BU of 2v5o by Molmil](/molmil-images/mine/2v5o) | STRUCTURE OF HUMAN IGF2R DOMAINS 11-14 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, CHLORIDE ION | Authors: | Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y. | Deposit date: | 2007-07-06 | Release date: | 2007-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure and Functional Analysis of the Igf-II/Igf2R Interaction Embo J., 27, 2008
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2VGE
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![BU of 2vge by Molmil](/molmil-images/mine/2vge) | Crystal structure of the C-terminal region of human iASPP | Descriptor: | RELA-ASSOCIATED INHIBITOR | Authors: | Robinson, R.A, Lu, X, Jones, E.Y, Siebold, C. | Deposit date: | 2007-11-12 | Release date: | 2008-02-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and Structural Studies of Aspp Proteins Reveal Differential Binding to P53, P63 and P73 Structure, 16, 2008
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2VSM
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![BU of 2vsm by Molmil](/molmil-images/mine/2vsm) | Nipah virus attachment glycoprotein in complex with human cell surface receptor ephrinB2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EPHRIN-B2, HEMAGGLUTININ-NEURAMINIDASE, ... | Authors: | Bowden, T.A, Aricescu, A.R, Gilbert, R.J, Grimes, J.M, Jones, E.Y, Stuart, D.I. | Deposit date: | 2008-04-25 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Nipah and Hendra Virus Attachment to Their Cell-Surface Receptor Ephrin-B2 Nat.Struct.Mol.Biol., 15, 2008
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2WFR
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![BU of 2wfr by Molmil](/molmil-images/mine/2wfr) | Crystal structure of the N-terminal signalling domain of human Dhh with calcium | Descriptor: | CALCIUM ION, DESERT HEDGEHOG PROTEIN N-PRODUCT, SULFATE ION, ... | Authors: | Bishop, B, Aricescu, A.R, Harlos, K, O'Callaghan, C.A, Jones, E.Y, Siebold, C. | Deposit date: | 2009-04-14 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights Into Hedgehog Ligand Sequestration by the Human Hedgehog-Interacting Protein Hip Nat.Struct.Mol.Biol., 16, 2009
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2VWD
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![BU of 2vwd by Molmil](/molmil-images/mine/2vwd) | Nipah Virus Attachment Glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-BUTYROLACTONE, ... | Authors: | Bowden, T.A, Crispin, M, Harvey, D.J, Aricescu, A.R, Grimes, J.M, Jones, E.Y, Stuart, D.I. | Deposit date: | 2008-06-20 | Release date: | 2008-10-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure and Carbohydrate Analysis of Nipah Virus Attachment Glycoprotein: A Template for Antiviral and Vaccine Design. J.Virol., 82, 2008
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2WAH
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![BU of 2wah by Molmil](/molmil-images/mine/2wah) | Crystal Structure of an IgG1 Fc Glycoform (Man9GlcNAc2) | Descriptor: | IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-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, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Crispin, M, Bowden, T.A, Coles, C.H, Harlos, K, Aricescu, A.R, Harvey, D.J, Stuart, D.I, Jones, E.Y. | Deposit date: | 2009-02-06 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Carbohydrate and Domain Architecture of an Immature Antibody Glycoform Exhibiting Enhanced Effector Functions J.Mol.Biol., 387, 2009
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6T2H
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![BU of 6t2h by Molmil](/molmil-images/mine/6t2h) | Furano[2,3-d]prymidine amides as Notum inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-10-08 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6TFB
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![BU of 6tfb by Molmil](/molmil-images/mine/6tfb) | Carbamazepine binds Frizzled8 | Descriptor: | Frizzled-8, GLYCEROL, benzo[b][1]benzazepine-11-carboxamide | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-11-13 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8. J.Med.Chem., 63, 2020
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8BT7
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![BU of 8bt7 by Molmil](/molmil-images/mine/8bt7) | Notum Inhibitor ARUK3004903 | Descriptor: | 1,2-ETHANEDIOL, 1-[3,4-bis(chloranyl)-5-methyl-indol-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 (1.4 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTC
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![BU of 8btc by Molmil](/molmil-images/mine/8btc) | Notum Inhibitor ARUK3004558 | Descriptor: | 1,2-ETHANEDIOL, 1-[4,5-bis(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 (1.54 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTI
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![BU of 8bti by Molmil](/molmil-images/mine/8bti) | Notum Inhibitor ARUK3004556 | Descriptor: | 1,2-ETHANEDIOL, 1-(4-chloranylindol-1-yl)-2-methoxy-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 (1.31 Å) | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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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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8BT5
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![BU of 8bt5 by Molmil](/molmil-images/mine/8bt5) | Notum Inhibitor ARUK3004877 | Descriptor: | 1,2-ETHANEDIOL, 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-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 (1.4 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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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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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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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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