4KZB
| Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) | 分子名称: | Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
4KZ4
| Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) | 分子名称: | 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
4KZ8
| Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) | 分子名称: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.282 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
4KZ3
| Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | 分子名称: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
4LV0
| |
4KZ5
| Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) | 分子名称: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
4LV1
| |
4LV3
| AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid | 分子名称: | (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION | 著者 | London, N, Eidam, O, Shoichet, B.K. | 登録日 | 2013-07-25 | 公開日 | 2014-07-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Covalent docking of large libraries for the discovery of chemical probes. Nat.Chem.Biol., 10, 2014
|
|
4LV2
| |
4KZA
| Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) | 分子名称: | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
4KZ9
| Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) | 分子名称: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
4KZ6
| Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) | 分子名称: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
4KZ7
| Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid) | 分子名称: | (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
|
|
254L
| LYSOZYME | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | 著者 | Kuroki, R, Shoichet, B, Weaver, L.H, Matthews, B.W. | 登録日 | 1997-11-10 | 公開日 | 1998-01-28 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A relationship between protein stability and protein function. Proc.Natl.Acad.Sci.USA, 92, 1995
|
|
253L
| LYSOZYME | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | 著者 | Kuroki, R, Shoichet, B, Weaver, L.H, Matthews, B.W. | 登録日 | 1997-11-10 | 公開日 | 1998-01-28 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A relationship between protein stability and protein function. Proc.Natl.Acad.Sci.USA, 92, 1995
|
|
255L
| HYDROLASE | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | 著者 | Kuroki, R, Shoichet, B, Weaver, L.H, Matthews, B.W. | 登録日 | 1997-11-10 | 公開日 | 1998-01-28 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A relationship between protein stability and protein function. Proc.Natl.Acad.Sci.USA, 92, 1995
|
|
6OBA
| The beta2 adrenergic receptor bound to a negative allosteric modulator | 分子名称: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | 著者 | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | 登録日 | 2019-03-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor. Nat.Chem.Biol., 16, 2020
|
|
4XV5
| CcP gateless cavity | 分子名称: | BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
|
|
4XV7
| CcP gateless cavity | 分子名称: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
|
|
4XV8
| CcP gateless cavity | 分子名称: | BENZAMIDINE, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
|
|
4XV6
| CcP gateless cavity | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
|
|
8UWL
| 5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | 分子名称: | 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | 登録日 | 2023-11-06 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | AlphaFold2 structures guide prospective ligand discovery. Science, 2024
|
|
8V6U
| 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking | 分子名称: | 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ... | 著者 | Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L. | 登録日 | 2023-12-03 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | AlphaFold2 structures guide prospective ligand discovery. Science, 2024
|
|
1TSL
| |
1TSM
| |