8TSD
 
 | | Human PI3K p85alpha/p110alpha bound to RLY-2608 | | 分子名称: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
|
|
8TSB
 | | Human PI3K p85alpha/p110alpha bound to compound 2 | | 分子名称: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.53 Å) | | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
|
|
6X3C
 | | Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47) | | 分子名称: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Chaires, H.A, Fraser, J.S. | | 登録日 | 2020-05-21 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
|
|
8TSC
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | | 分子名称: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
|
|
8TS7
 | | Human PI3K p85alpha/p110alpha | | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
|
|
6U5D
 | | 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
 | | 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
 | |
4KJK
 | | Room Temperature WT DHFR | | 分子名称: | CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ... | | 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 (1.351 Å) | | 主引用文献 | Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
|
|
8FG7
 | |
8FG5
 | | 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
 | |
8FRA
 | |
8FRB
 | |
8FRD
 | |
8FR9
 | |
8FRG
 | |
8SH8
 | | 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
 | |
6W90
 | | 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
|
|
2NT4
 | | Receiver domain from Myxococcus xanthus social motility protein FrzS (H92F mutant) | | 分子名称: | CHLORIDE ION, Response regulator homolog | | 著者 | Echols, N, Fraser, J, Weisfield, S, Merlie, J, Zusman, D, Alber, T. | | 登録日 | 2006-11-06 | | 公開日 | 2007-03-13 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | An atypical receiver domain controls the dynamic polar localization of the Myxococcus xanthus social motility protein FrzS.
Mol.Microbiol., 65, 2007
|
|
6OB5
 | | Computationally-designed, modular sense/response system (S3-2D) | | 分子名称: | Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ... | | 著者 | Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T. | | 登録日 | 2019-03-19 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.208 Å) | | 主引用文献 | Computational design of a modular protein sense-response system.
Science, 366, 2019
|
|
8GCA
 | | Mouse acidic mammalian chitinase, catalytic domain in complex with N,N',N''-triacetylchitotriose at pH 4.74 | | 分子名称: | 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-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 | 2023-03-01 | | 公開日 | 2023-03-15 | | 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
|
|
8TS8
 | | p85alpha/p110alpha heterodimer H1047R mutant | | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
|
|
8TS9
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | | 分子名称: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
|
|
