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PDB: 686 件

7FR0
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890182452
分子名称: 2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR8
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BU of 7fr8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer
分子名称: (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR1
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BU of 7fr1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928
分子名称: 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRB
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BU of 7frb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551426009 - (S) isomer
分子名称: 1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR4
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BU of 7fr4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer
分子名称: 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide, DIMETHYL SULFOXIDE, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR3
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BU of 7fr3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer
分子名称: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR9
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BU of 7fr9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1367095370
分子名称: N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRC
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BU of 7frc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer
分子名称: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRD
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BU of 7frd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer
分子名称: 3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
4KJL
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BU of 4kjl by Molmil
Room Temperature N23PPS148A DHFR
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
登録日2013-05-03
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
5F6M
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BU of 5f6m by Molmil
Isotropic Trypsin Model for Comparison of Diffuse Scattering
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Van Benschoten, A.H, Wall, M.E, Fraser, J.S.
登録日2015-12-06
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
6U5D
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BU of 6u5d by Molmil
RT XFEL structure of CypA solved using LCP injection system
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Young, I.D, Sierra, R.G, Brewster, A.S, Koralek, J.D, Boutet, S, Sauter, N.K, Fraser, J.S, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
6UCY
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BU of 6ucy by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K
分子名称: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-18
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
8ERS
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BU of 8ers by Molmil
PanDDA analysis -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398507 - (R,S) isomer
分子名称: (1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-12
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
8FG7
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BU of 8fg7 by Molmil
Apo mouse acidic mammalian chitinase, catalytic domain at 277 K
分子名称: Acidic mammalian chitinase, MAGNESIUM ION
著者Diaz, R.E, Asthana, P, Fraser, J.S.
登録日2022-12-12
公開日2023-03-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FG5
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BU of 8fg5 by Molmil
Apo mouse acidic mammalian chitinase, catalytic domain at 100 K
分子名称: Acidic mammalian chitinase, MAGNESIUM ION
著者Diaz, R.E, Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2022-12-12
公開日2023-03-01
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRC
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BU of 8frc by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 4.91
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-08
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRA
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BU of 8fra by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with diacetylchitobiose at pH 5.60
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-08
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRB
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BU of 8frb by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetylamino-2-deoxy-alpha-L-idopyranose, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-08
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRD
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BU of 8frd by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, MAGNESIUM ION
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-15
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FR9
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BU of 8fr9 by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.08
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-15
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRG
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BU of 8frg by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
著者Diaz, R.E, Fraser, J.S.
登録日2023-01-06
公開日2023-03-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8SH8
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BU of 8sh8 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
分子名称: Papain-like protease nsp3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
To Be Published
8SH6
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Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
分子名称: Papain-like protease nsp3
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
To Be Published
6W90
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BU of 6w90 by Molmil
De novo designed NTF2 fold protein NT-9
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9
著者Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T.
登録日2020-03-21
公開日2020-08-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020

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件を2024-10-30に公開中

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