4NVI
| |
4NVA
| |
4NVL
| |
4NX6
| single room temperature model of DHFR | 分子名称: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | 著者 | Fenwick, R.B, van den Bedem, H, Fraser, J.S, Wright, P.E. | 登録日 | 2013-12-08 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4NVH
| |
4NVK
| Predicting protein conformational response in prospective ligand discovery. | 分子名称: | Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2013-12-05 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
|
|
4NX7
| single cryogenic temperature model of DHFR | 分子名称: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | 著者 | Fenwick, R.B, van den Bedem, H, Fraser, J.S, Wright, P.E. | 登録日 | 2013-12-08 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4NX4
| Re-refinement of CAP-1 HIV-CA complex | 分子名称: | 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ... | 著者 | Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T. | 登録日 | 2013-12-08 | 公開日 | 2014-02-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Protein structural ensembles are revealed by redefining X-ray electron density noise. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4PTH
| Ensemble model for Escherichia coli dihydrofolate reductase at 100K | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | 登録日 | 2014-03-10 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
|
|
4OPQ
| Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-06 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
|
|
4OPZ
| Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation in complex with boron-based inhibitor EC25 | 分子名称: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, ACETATE ION, ... | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-07 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
|
|
4OPR
| Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation | 分子名称: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ... | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-06 | 公開日 | 2015-05-20 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
|
|
4OQ0
| Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutation in complex with boron-based inhibitor EC25 | 分子名称: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ... | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-07 | 公開日 | 2015-05-20 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
|
|
4OQG
| Crystal structure of TEM-1 beta-lactamase in complex with boron-based inhibitor EC25 | 分子名称: | 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, Ampicillin resistance protein, ZINC ION | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-09 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
|
|
4PSS
| Multiconformer model for Escherichia coli dihydrofolate reductase at 100K | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | 登録日 | 2014-03-07 | 公開日 | 2014-06-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (0.849 Å) | 主引用文献 | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
|
|
4NVE
| |
4NVO
| |
4NVJ
| |
5SQT
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000833624464 - (R,R) and (S,S) isomers | 分子名称: | (3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid, (3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid, Non-structural protein 3 | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2022-06-09 | 公開日 | 2022-07-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
5SR2
| |
5SQ4
| |
5SQI
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5016127255 - (R,R) and (S,S) isomers | 分子名称: | (1R,2R)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3 | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2022-06-09 | 公開日 | 2022-07-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
5SR1
| |
5SR5
| |
5SPZ
| |