2OU0
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4E3N
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4E3M
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2PU4
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4E97
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4EKS
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2PLM
| Crystal structure of the protein TM0936 from Thermotoga maritima complexed with ZN and S-inosylhomocysteine | 分子名称: | (2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID, Uncharacterized protein, ZINC ION | 著者 | Fedorov, A.A, Fedorov, E.V, Hermann, J.C, Marti-Arbona, R, Shoichet, B.K, Raushel, F.M, Almo, S.C. | 登録日 | 2007-04-20 | 公開日 | 2007-07-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based activity prediction for an enzyme of unknown function Nature, 448, 2007
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4EKP
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4E3J
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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
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4EKQ
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4EKR
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3FKW
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3CMZ
| TEM-1 Class-A beta-lactamase L201P mutant apo structure | 分子名称: | Beta-lactamase TEM, PHOSPHATE ION | 著者 | Marciano, D.C, Wang, X, Wang, J, Chen, Y, Thomas, V.L, Shoichet, B.K, Palzkill, T. | 登録日 | 2008-03-24 | 公開日 | 2008-11-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Genetic and structural characterization of an L201P global suppressor substitution in TEM-1 beta-lactamase J.Mol.Biol., 384, 2008
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3FKV
| AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | 著者 | Chen, Y, McReynolds, A, Shoichet, B.K. | 登録日 | 2008-12-17 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | 主引用文献 | Re-examining the role of Lys67 in class C beta-lactamase catalysis. Protein Sci., 18, 2009
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3G34
| CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE) | 分子名称: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | 著者 | Chen, Y, Shoichet, B.K. | 登録日 | 2009-02-01 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
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3G2Z
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3G35
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3G31
| CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1) | 分子名称: | (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | 著者 | Chen, Y, Shoichet, B.K. | 登録日 | 2009-02-01 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
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3G30
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3G32
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3G2Y
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1PI5
| Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | 分子名称: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | 著者 | Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K. | 登録日 | 2003-05-29 | 公開日 | 2004-02-24 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Thermodynamic cycle analysis and inhibitor design against beta-lactamase. Biochemistry, 42, 2003
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1PI4
| Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain | 分子名称: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | 著者 | Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K. | 登録日 | 2003-05-29 | 公開日 | 2004-02-24 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Thermodynamic cycle analysis and inhibitor design against beta-lactamase. Biochemistry, 42, 2003
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1PZO
| TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor | 分子名称: | Beta-lactamase TEM, N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE | 著者 | Horn, J.R, Shoichet, B.K. | 登録日 | 2003-07-14 | 公開日 | 2004-03-09 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Allosteric inhibition through core disruption. J.Mol.Biol., 336, 2004
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