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7B2V
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BU of 7b2v by Molmil
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
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BU of 7b3f by Molmil
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
4X96
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BU of 4x96 by Molmil
Low resolution crystal structure of Lecithin:Cholesterol Acyltransferase (LCAT; residues 21-397)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Glukhova, A, Tesmer, J.J.G.
Deposit date:2014-12-11
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (8.69 Å)
Cite:Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
4UU3
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BU of 4uu3 by Molmil
Ferulic acid decarboxylase from Enterobacter sp.
Descriptor: FERULIC ACID DECARBOXYLASE
Authors:Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K.
Deposit date:2014-07-24
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
4V92
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BU of 4v92 by Molmil
Kluyveromyces lactis 80S ribosome in complex with CrPV-IRES
Descriptor: 18S RRNA, ES1, ES10, ...
Authors:Fernandez, I.S, Bai, X, Scheres, S.H.W, Ramakrishnan, V.
Deposit date:2014-03-21
Release date:2014-07-09
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Initiation of Translation by Cricket Paralysis Virus Ires Requires its Translocation in the Ribosome.
Cell(Cambridge,Mass.), 157, 2014
4W5Q
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BU of 4w5q by Molmil
The Crystal Structure of Human Argonaute2 Bound to a Guide and Target RNA Containing Seed Pairing from 2-8
Descriptor: MAGNESIUM ION, PHENOL, Protein argonaute-2, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2014-08-18
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Gene regulation. Structural basis for microRNA targeting.
Science, 346, 2014
4W68
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BU of 4w68 by Molmil
Cytoplasmically Produced Homodimeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB)
Descriptor: SULFATE ION, Single domain antibody
Authors:George, J, Legler, P.M.
Deposit date:2014-08-20
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mutational analysis of a monomeric and dimeric form of a single domain antibody with implications for protein misfolding.
Proteins, 82, 2014
4W6C
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BU of 4w6c by Molmil
Crystal Structure of Full-Length Split GFP Mutant K26C Disulfide Dimer, P 21 21 21 Space Group
Descriptor: fluorescent protein D21H/K26C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4924 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W6F
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BU of 4w6f by Molmil
Crystal Structure of Full-Length Split GFP Mutant K26C Disulfide Dimer, P 32 2 1 Space Group, Form 2
Descriptor: IMIDAZOLE, NICKEL (II) ION, fluorescent protein D21H/K26C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
7SSQ
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BU of 7ssq by Molmil
Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0075231
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-11-11
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0075231
to be published
7SSR
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BU of 7ssr by Molmil
Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0075093
Descriptor: (1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-11-11
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0075093
to be published
8UT2
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BU of 8ut2 by Molmil
Pre-fusion Measles virus fusion protein complexed with Fab 77
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zyla, D, Saphire, E.O.
Deposit date:2023-10-30
Release date:2024-07-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
8UUQ
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BU of 8uuq by Molmil
Structure of the Measles virus Fusion protein in the pre-fusion conformation with bound [FIP-HRC]2-PEG11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, [FIP-HRC]2-PEG11, ...
Authors:Zyla, D, Saphire, E.O.
Deposit date:2023-11-01
Release date:2024-07-03
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
6V1C
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BU of 6v1c by Molmil
Crystal structure of human trefoil factor 3 in complex with its cognate ligand
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3
Authors:Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
Deposit date:2019-11-20
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
7B3G
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BU of 7b3g by Molmil
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
7B45
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BU of 7b45 by Molmil
Notum complex with ARUK3003934
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one, ...
Authors:Fish, P, Jones, E.Y.
Deposit date:2020-12-02
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
7B8C
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BU of 7b8c by Molmil
Notum-Fragment 147
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide, ...
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 (1.43 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B84
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BU of 7b84 by Molmil
Notum-Fragment065
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
8FYY
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BU of 8fyy by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT5 (compound 10)
Descriptor: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-27
Release date:2024-02-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
7B87
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BU of 7b87 by Molmil
Notum-Fragment074
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
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 (1.58 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
6VCA
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BU of 6vca by Molmil
TB38 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, ...
Authors:Zhou, Y.F, Lord, D.M.
Deposit date:2019-12-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
7B86
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BU of 7b86 by Molmil
Notum-Fragment067
Descriptor: 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, 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 (1.4 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8D
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BU of 7b8d by Molmil
Notum-Fragment 151
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DIMETHYL SULFOXIDE, ...
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 (1.62 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8A
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BU of 7b8a by Molmil
Notum-Fragment 110
Descriptor: 1,2-ETHANEDIOL, 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, 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 (1.23 Å)
Cite:Notum Fragment Screen
To Be Published
7B89
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Notum-Fragment077
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022

223790

數據於2024-08-14公開中

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