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4V0Q
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BU of 4v0q by Molmil
Dengue Virus Full Length NS5 Complexed with SAH
Descriptor: ACETATE ION, GLYCEROL, NS5 POLYMERASE, ...
Authors:Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D.
Deposit date:2014-09-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication.
Plos Pathog., 11, 2015
6TFB
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BU of 6tfb by Molmil
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:2024-11-20
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
6TR5
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BU of 6tr5 by Molmil
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:2024-11-13
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
6TR7
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BU of 6tr7 by Molmil
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:2024-11-20
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
6TR6
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BU of 6tr6 by Molmil
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:2024-11-20
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
6TUZ
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BU of 6tuz by Molmil
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:2024-10-09
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Caffeine inhibits Notum activity by binding at the catalytic pocket.
Commun Biol, 3, 2020
4V0R
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BU of 4v0r by Molmil
DENGUE VIRUS FULL LENGTH NS5 COMPLEXED WITH GTP AND SAH
Descriptor: FORMIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D.
Deposit date:2014-09-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication.
Plos Pathog., 11, 2015
5CYH
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BU of 5cyh by Molmil
CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE GLY-PRO
Descriptor: CYCLOPHILIN A, GLYCINE, PROLINE
Authors:Zhao, Y, Ke, H.
Deposit date:1996-02-27
Release date:1996-07-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes.
Biochemistry, 35, 1996
5JQ3
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BU of 5jq3 by Molmil
Crystal structure of Ebola glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ...
Authors:Zhao, Y, Ren, J, Stuart, D.I.
Deposit date:2016-05-04
Release date:2016-06-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
5JQB
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BU of 5jqb by Molmil
Crystal structure of Ebola glycoprotein in complex with ibuprofen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ...
Authors:Zhao, Y, Ren, J, Stuart, D.I.
Deposit date:2016-05-04
Release date:2016-06-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
6G9B
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BU of 6g9b by Molmil
Crystal structure of Ebolavirus glycoprotein in complex with imipramine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ...
Authors:Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I.
Deposit date:2018-04-10
Release date:2018-05-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
6G95
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BU of 6g95 by Molmil
Crystal structure of Ebolavirus glycoprotein in complex with thioridazine
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I.
Deposit date:2018-04-10
Release date:2018-05-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
6G9I
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BU of 6g9i by Molmil
Crystal structure of Ebolavirus glycoprotein in complex with clomipramine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, Envelope glycoprotein,Envelope glycoprotein, ...
Authors:Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I.
Deposit date:2018-04-10
Release date:2018-05-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
6GBI
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BU of 6gbi by Molmil
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:2024-10-16
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
7B8M
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BU of 7b8m by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8N
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BU of 7b8n by Molmil
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:2024-10-16
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8J
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BU of 7b8j by Molmil
Notum-Fragment 163
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8O
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BU of 7b8o by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8L
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BU of 7b8l by Molmil
Notum-Fragment 174
Descriptor: 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-13
Release date:2022-01-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8K
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BU of 7b8k by Molmil
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:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
6SNW
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BU of 6snw by Molmil
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:2024-11-06
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
6SMG
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BU of 6smg by Molmil
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:2025-07-09
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
6SNB
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BU of 6snb by Molmil
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:2025-07-02
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
6TFM
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BU of 6tfm by Molmil
Frizzled8 CRD
Descriptor: Frizzled-8
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2019-11-14
Release date:2020-03-04
Last modified:2024-10-09
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
1FGL
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BU of 1fgl by Molmil
Cyclophilin A complexed with a fragment of HIV-1 GAG protein
Descriptor: CYCLOPHILIN A, HIV-1 GAG PROTEIN
Authors:Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H.
Deposit date:1996-11-18
Release date:1997-04-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclophilin A complexed with a fragment of HIV-1 gag protein: insights into HIV-1 infectious activity.
Structure, 5, 1997

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