6SNW
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![BU of 6snw by Molmil](/molmil-images/mine/6snw) | Structure of Coxsackievirus A10 complexed with its receptor KREMEN1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP3, ... | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2019-08-27 | Release date: | 2020-01-15 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10. Nat Commun, 11, 2020
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6SNB
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![BU of 6snb by Molmil](/molmil-images/mine/6snb) | Structure of Coxsackievirus A10 A-particle | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2019-08-23 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10. Nat Commun, 11, 2020
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6TFM
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![BU of 6tfm by Molmil](/molmil-images/mine/6tfm) | Frizzled8 CRD | Descriptor: | Frizzled-8 | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-11-14 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.343 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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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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6T2K
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![BU of 6t2k by Molmil](/molmil-images/mine/6t2k) | Furano[2,3-d]prymidine amides as Notum inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic 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 (1.38 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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6TR7
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![BU of 6tr7 by Molmil](/molmil-images/mine/6tr7) | N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide-Notum complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-12-17 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum. J. Pineal Res., 68, 2020
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6TR6
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![BU of 6tr6 by Molmil](/molmil-images/mine/6tr6) | N-acetylserotonin-Notum complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-12-17 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum. J. Pineal Res., 68, 2020
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6SMG
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![BU of 6smg by Molmil](/molmil-images/mine/6smg) | Structure of Coxsackievirus A10 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2019-08-21 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10. Nat Commun, 11, 2020
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6TR5
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![BU of 6tr5 by Molmil](/molmil-images/mine/6tr5) | Melatonin-Notum complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-12-17 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.509 Å) | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum. J. Pineal Res., 68, 2020
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6TV4
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![BU of 6tv4 by Molmil](/molmil-images/mine/6tv4) | CFF-Notum complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CAFFEINE, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2020-01-08 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Caffeine inhibits Notum activity by binding at the catalytic pocket. Commun Biol, 3, 2020
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6TUZ
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![BU of 6tuz by Molmil](/molmil-images/mine/6tuz) | Theophylline-Notum complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2020-01-08 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Caffeine inhibits Notum activity by binding at the catalytic pocket. Commun Biol, 3, 2020
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1R5I
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![BU of 1r5i by Molmil](/molmil-images/mine/1r5i) | Crystal structure of the MAM-MHC complex | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ... | Authors: | Zhao, Y, Li, Z, Drozd, S.J, Guo, Y, Mourad, W, Li, H. | Deposit date: | 2003-10-10 | Release date: | 2004-03-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of Mycoplasma arthritidis mitogen complexed with HLA-DR1 reveals a novel superantigen fold and a dimerized superantigen-MHC complex. Structure, 12, 2004
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1PTY
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![BU of 1pty by Molmil](/molmil-images/mine/1pty) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO PHOSPHOTYROSINE MOLECULES | Descriptor: | MAGNESIUM ION, O-PHOSPHOTYROSINE, PROTEIN TYROSINE PHOSPHATASE 1B | Authors: | Zhao, Y, Puius, Y.A, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y. | Deposit date: | 1997-01-16 | Release date: | 1998-01-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design. Proc.Natl.Acad.Sci.USA, 94, 1997
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1ONS
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![BU of 1ons by Molmil](/molmil-images/mine/1ons) | |
1QQC
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![BU of 1qqc by Molmil](/molmil-images/mine/1qqc) | CRYSTAL STRUCTURE OF AN ARCHAEBACTERIAL DNA POLYMERASE D.TOK | Descriptor: | DNA POLYMERASE II, MAGNESIUM ION, SULFATE ION | Authors: | Zhao, Y, Jeruzalmi, D, Leighton, L, Lasken, R, Kuriyan, J. | Deposit date: | 1999-06-02 | Release date: | 1999-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of an archaebacterial DNA polymerase Structure Fold.Des., 7, 1999
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1VBT
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![BU of 1vbt by Molmil](/molmil-images/mine/1vbt) | Structure of cyclophilin complexed with sulfur-substituted tetrapeptide AAPF | Descriptor: | CYCLOPHILIN A, SULFUR-SUBSTITUTED TETRAPEPTIDE | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1998-06-16 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insight Into Conversion of Substrate to Inhibitor To be Published
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8S7C
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![BU of 8s7c by Molmil](/molmil-images/mine/8s7c) | Ternary Complex of Cachd1, FZD5 and LRP6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-5, ... | Authors: | Zhao, Y, Ren, J, Jones, E.Y. | Deposit date: | 2024-02-29 | Release date: | 2024-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (4.7 Å) | Cite: | Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain. Science, 384, 2024
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7BUY
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![BU of 7buy by Molmil](/molmil-images/mine/7buy) | The crystal structure of COVID-19 main protease in complex with carmofur | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid | Authors: | Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z. | Deposit date: | 2020-04-08 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Nat.Struct.Mol.Biol., 27, 2020
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8YZ7
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![BU of 8yz7 by Molmil](/molmil-images/mine/8yz7) | |
7B8U
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![BU of 7b8u by Molmil](/molmil-images/mine/7b8u) | Notum-Fragment 201 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8M
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![BU of 7b8m by Molmil](/molmil-images/mine/7b8m) | Notum-Fragment 193 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8O
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![BU of 7b8o by Molmil](/molmil-images/mine/7b8o) | Notum-Fragment 199 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8N
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![BU of 7b8n by Molmil](/molmil-images/mine/7b8n) | Notum-Fragment 197 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8K
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![BU of 7b8k by Molmil](/molmil-images/mine/7b8k) | Notum-Fragment 173 | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-benzimidazol-2-ylcyanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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