4E3J
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4E3O
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4E3M
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4E3I
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4E3L
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4E3K
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4E3N
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4E97
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4EKS
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4EKP
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4EKQ
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4EKR
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7TXT
| Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl | 分子名称: | 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ... | 著者 | Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G. | 登録日 | 2022-02-09 | 公開日 | 2023-03-15 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structure-based discovery of conformationally selective inhibitors of the serotonin transporter. Cell, 186, 2023
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3HTD
| (Z)-Thiophene-2-carboxaldoxime in complex with T4 lysozyme L99A/M102Q | 分子名称: | (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine, BETA-MERCAPTOETHANOL, Lysozyme, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-11 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3ITA
| Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin | 分子名称: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ... | 著者 | Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. | 登録日 | 2009-08-27 | 公開日 | 2009-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structures of penicillin-binding protein 6 from Escherichia coli. J.Am.Chem.Soc., 131, 2009
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3IT9
| Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state | 分子名称: | D-alanyl-D-alanine carboxypeptidase dacC, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | 著者 | Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. | 登録日 | 2009-08-27 | 公開日 | 2009-10-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of penicillin-binding protein 6 from Escherichia coli. J.Am.Chem.Soc., 131, 2009
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3ITB
| Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment | 分子名称: | D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ... | 著者 | Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. | 登録日 | 2009-08-27 | 公開日 | 2009-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structures of penicillin-binding protein 6 from Escherichia coli. J.Am.Chem.Soc., 131, 2009
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3KKU
| Cruzain in complex with a non-covalent ligand | 分子名称: | 1,2-ETHANEDIOL, Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, ... | 著者 | Ferreira, R.S, Eidam, O, Shoichet, B.K. | 登録日 | 2009-11-06 | 公開日 | 2010-07-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J.Med.Chem., 53, 2010
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3O87
| Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor | 分子名称: | 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. | 登録日 | 2010-08-02 | 公開日 | 2010-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors J.Med.Chem., 53, 2010
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1FCM
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1FCO
| CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM | 分子名称: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, BETA-LACTAMASE | 著者 | Patera, A, Blaszczak, L.C, Shoichet, B.K. | 登録日 | 2000-07-19 | 公開日 | 2000-12-04 | 最終更新日 | 2017-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis J.Am.Chem.Soc., 122, 2000
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1FSW
| AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID | 分子名称: | CEPHALOSPORINASE, N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID, PHOSPHATE ION | 著者 | Caselli, E, Powers, R.A, Blaszczak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K. | 登録日 | 2000-09-11 | 公開日 | 2001-03-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases. Chem.Biol., 8, 2001
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1FCN
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1FSY
| AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID | 分子名称: | CEPHALOSPORINASE, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID, PHOSPHATE ION | 著者 | Caselli, E, Powers, R.A, Blasczcak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K. | 登録日 | 2000-09-11 | 公開日 | 2001-03-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases. Chem.Biol., 8, 2001
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1GA9
| CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID) | 分子名称: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ... | 著者 | Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K. | 登録日 | 2000-11-29 | 公開日 | 2001-07-25 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase. Chem.Biol., 8, 2001
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