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6O2R
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BU of 6o2r by Molmil
Deacetylated Microtubules
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E.
登録日2019-02-24
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O2Q
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BU of 6o2q by Molmil
Acetylated Microtubules
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E.
登録日2019-02-24
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UAD
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BU of 6uad by Molmil
Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Ketosteroid isomerase with truncated and designed loop, PHOSPHATE ION
著者Kundert, K, Thompson, M.C, Liu, L, Fraser, J.S, Kortemme, T.
登録日2019-09-10
公開日2020-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
To Be Published
6U5E
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BU of 6u5e by Molmil
RT XFEL structure of CypA solved using celloluse carrier media
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Nango, E, Nakane, T, Young, I.D, Brewster, A.S, Sugahara, M, Tanaka, R, Sauter, N.K, Tono, K, Iwata, S, 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 (1.56 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
6UCW
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BU of 6ucw by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-17
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 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
6UAE
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BU of 6uae by Molmil
Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, EQUILENIN, Ketosteroid isomerase with designed loop, ...
著者Krivacic, C, Kundert, K, Thompson, M.C, Fraser, J.S, Kortemme, T.
登録日2019-09-10
公開日2020-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
To Be Published
6U5G
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BU of 6u5g by Molmil
MicroED structure of a FIB-milled CypA Crystal
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Martynowycz, M.W, Zhao, W, Gonen, T, 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ELECTRON CRYSTALLOGRAPHY (2.5 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
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
6UCN
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BU of 6ucn by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K
分子名称: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-16
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.32 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
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
5TR0
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BU of 5tr0 by Molmil
Lipoxygenase-1 (soybean) L754A mutant at 293K
分子名称: FE (II) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S.
登録日2016-10-24
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
5TQN
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BU of 5tqn by Molmil
Lipoxygenase-1 (soybean) L546A mutant at 293K
分子名称: FE (II) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S, Gee, C.
登録日2016-10-24
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
5V5E
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BU of 5v5e by Molmil
Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 733)
分子名称: 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid, ORF 17
著者Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S.
登録日2017-03-14
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases.
J. Am. Chem. Soc., 139, 2017
7TWT
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BU of 7twt by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 4 (P43 crystal form)
分子名称: Non-structural protein 3, [(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2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 4 (P43 crystal form)
To Be Published
7TWR
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BU of 7twr by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 8 (P43 crystal form)
分子名称: ACETATE ION, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWP
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BU of 7twp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 7 (P43 crystal form)
分子名称: ACETATE ION, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TX1
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BU of 7tx1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 10 (P43 crystal form)
分子名称: Non-structural protein 3, [(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2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 10 (P43 crystal form)
To Be Published
7TWF
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BU of 7twf by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 73 kGy)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWQ
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BU of 7twq by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 9 (P43 crystal form)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWI
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BU of 7twi by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 539 kGy)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TX5
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BU of 7tx5 by Molmil
Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at 293 K (C2 crystal form)
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Papain-like protease nsp3
著者Correy, G.J, Fraser, J.S, Kovalevsky, A.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (1.95 Å), X-RAY DIFFRACTION
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWH
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BU of 7twh by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 290 kGy)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWG
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BU of 7twg by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 153 kGy)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWS
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BU of 7tws by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 10 (P43 crystal form)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TX3
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BU of 7tx3 by Molmil
Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form)
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3
著者Correy, G.J, Fraser, J.S, Meilleur, F.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022

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件を2024-08-07に公開中

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