2PU2
| AmpC beta-lactamase with bound Phthalamide inhibitor | 分子名称: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION | 著者 | Babaoglu, K, Shoichet, B.K. | 登録日 | 2007-05-08 | 公開日 | 2008-04-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
|
|
2R9X
| AmpC beta-lactamase with bound Phthalamide inhibitor | 分子名称: | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | 著者 | Babaoglu, K, Shoichet, B.K. | 登録日 | 2007-09-13 | 公開日 | 2008-04-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
|
|
2R9W
| AmpC beta-lactamase with bound Phthalamide inhibitor | 分子名称: | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Babaoglu, K, Shoichet, B.K. | 登録日 | 2007-09-13 | 公開日 | 2008-04-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
|
|
2PU4
| |
2HDR
| |
2HDS
| |
2HDU
| |
2HDQ
| |
1TX0
| Dihydropteroate Synthetase, With Bound Product Analogue Pteroic Acid, From Bacillus anthracis | 分子名称: | DHPS, Dihydropteroate synthase, PTEROIC ACID, ... | 著者 | Babaoglu, K, Qi, J, Lee, R.E, White, S.W. | 登録日 | 2004-07-01 | 公開日 | 2004-09-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design. STRUCTURE, 12, 2004
|
|
1TWZ
| Dihydropteroate Synthetase, With Bound Substrate Analogue PtP, From Bacillus anthracis | 分子名称: | DHPS, Dihydropteroate synthase, PTERIN-6-YL-METHYL-MONOPHOSPHATE, ... | 著者 | Babaoglu, K, Qi, J, Lee, R.L, White, S.W. | 登録日 | 2004-07-01 | 公開日 | 2004-09-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design. STRUCTURE, 12, 2004
|
|
1TWW
| Dihydropteroate Synthetase, With Bound Substrate Analogue PtPP, From Bacillus anthracis | 分子名称: | 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE, DHPS, Dihydropteroate synthase, ... | 著者 | Babaoglu, K, Qi, J, Lee, R.E, White, S.W. | 登録日 | 2004-07-01 | 公開日 | 2004-09-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design. STRUCTURE, 12, 2004
|
|
1TWS
| Dihydropteroate Synthetase From Bacillus anthracis | 分子名称: | DHPS, Dihydropteroate synthase, SULFATE ION | 著者 | Babaoglu, K, Qi, J, Lee, R.E, White, S.W. | 登録日 | 2004-07-01 | 公開日 | 2004-09-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design. STRUCTURE, 12, 2004
|
|
1TX2
| Dihydropteroate Synthetase, With Bound Inhibitor MANIC, From Bacillus anthracis | 分子名称: | 6-METHYLAMINO-5-NITROISOCYTOSINE, DHPS, Dihydropteroate synthase, ... | 著者 | Babaoglu, K, Qi, J, Lee, R.E, White, S.W. | 登録日 | 2004-07-01 | 公開日 | 2004-09-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design. STRUCTURE, 12, 2004
|
|
2P9V
| Structure of AmpC beta-lactamase with cross-linked active site after exposure to small molecule inhibitor | 分子名称: | Beta-lactamase, PHOSPHATE ION | 著者 | Babaoglu, K, Wyrembak, P.N, Pelto, R.B, Shoichet, B.K, Pratt, R.F. | 登録日 | 2007-03-26 | 公開日 | 2007-08-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | O-Aryloxycarbonyl Hydroxamates: New beta-Lactamase Inhibitors That Cross-Link the Active Site. J.Am.Chem.Soc., 129, 2007
|
|
5UNG
| XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl] methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide) | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide, ... | 著者 | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | 登録日 | 2017-01-30 | 公開日 | 2017-04-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural basis for selectivity and diversity in angiotensin II receptors. Nature, 544, 2017
|
|
5UNF
| XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]) | 分子名称: | Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide | 著者 | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | 登録日 | 2017-01-30 | 公開日 | 2017-04-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural basis for selectivity and diversity in angiotensin II receptors. Nature, 544, 2017
|
|
5UNH
| Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide) | 分子名称: | N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor | 著者 | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | 登録日 | 2017-01-30 | 公開日 | 2017-04-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for selectivity and diversity in angiotensin II receptors. Nature, 544, 2017
|
|
1Q32
| Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase | 分子名称: | tyrosyl-DNA phosphodiesterase | 著者 | He, X, Babaoglu, K, Price, A, Nitiss, K.C, Nitiss, J.L, White, S.W. | 登録日 | 2003-07-28 | 公開日 | 2004-09-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Mutation of a conserved active site residue converts tyrosyl-DNA phosphodiesterase I into a DNA topoisomerase I-dependent poison J.Mol.Biol., 372, 2007
|
|
1PM7
| |
8GK7
| MsbA bound to cerastecin C | 分子名称: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Chen, Y, Klein, D. | 登録日 | 2023-03-17 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | 主引用文献 | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii. Nat Microbiol, 9, 2024
|
|
6MOA
| C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor | 分子名称: | 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.271 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
|
|
6MO7
| N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor | 分子名称: | Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
|
|
6MO9
| N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor | 分子名称: | Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
|
|
6MO8
| N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor | 分子名称: | 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
|
|
4ZJ8
| Structures of the human OX1 orexin receptor bound to selective and dual antagonists | 分子名称: | OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, human OX1R fusion protein to P.abysii glycogen synthase | 著者 | Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P, Renger, J.J, Rosenbaum, D.M. | 登録日 | 2015-04-29 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.751 Å) | 主引用文献 | Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors. Nat.Struct.Mol.Biol., 23, 2016
|
|