2RCX
 
 | | AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid | | 分子名称: | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION | | 著者 | Morandi, F, Morandi, S, Prati, F, Shoichet, B.K. | | 登録日 | 2007-09-20 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based optimization of cephalothin-analogue boronic acids as beta-lactamase inhibitors
Bioorg.Med.Chem., 16, 2008
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1MXO
 | | AmpC beta-lactamase in complex with an m.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 | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | | 登録日 | 2002-10-02 | | 公開日 | 2003-03-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
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1MY8
 | | AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | | 分子名称: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase | | 著者 | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | | 登録日 | 2002-10-03 | | 公開日 | 2003-03-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
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2I72
 | | AmpC beta-lactamase in complex with 5-diformylaminomethyl-benzo[b]thiophen-2-boronic acid | | 分子名称: | Beta-lactamase, {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID | | 著者 | Venturelli, A, Cancian, L, Tondi, D, Morandi, F, Cannazza, G, Segatore, B, Prati, F, Amicosante, G, Shoichet, B.K, Costi, M.P. | | 登録日 | 2006-08-30 | | 公開日 | 2007-09-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Optimizing Cell Permeation of an Antibiotic Resistance Inhibitor for Improved Efficacy
J.Med.Chem., 50, 2007
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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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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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2FFY
 | | AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3 | | 分子名称: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | 著者 | Chen, Y, Minasov, G, Roth, T.A, Prati, F, Shoichet, B.K. | | 登録日 | 2005-12-20 | | 公開日 | 2006-03-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution
J.Am.Chem.Soc., 128, 2006
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1IEM
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4) | | 分子名称: | PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase | | 著者 | Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K. | | 登録日 | 2001-04-10 | | 公開日 | 2001-08-15 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
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1IEL
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Ceftazidime | | 分子名称: | ACYLATED CEFTAZIDIME, PHOSPHATE ION, beta-lactamase | | 著者 | Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K. | | 登録日 | 2001-04-10 | | 公開日 | 2001-08-15 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
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1NYM
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB) | | 分子名称: | Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | 登録日 | 2003-02-12 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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1NYY
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (105) | | 分子名称: | Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID | | 著者 | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | 登録日 | 2003-02-14 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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1NY0
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (NBF) | | 分子名称: | Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | 登録日 | 2003-02-11 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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1NXY
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2) | | 分子名称: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION | | 著者 | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | 登録日 | 2003-02-11 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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6TCU
 | | Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | | 分子名称: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta | | 著者 | Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R. | | 登録日 | 2019-11-06 | | 公開日 | 2020-09-16 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model.
Acs Med.Chem.Lett., 11, 2020
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5OIN
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5OIP
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5OIQ
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5OIC
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5OIO
 | | InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine | | 分子名称: | 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Convery, M.A. | | 登録日 | 2017-07-19 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
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5OIM
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5OIT
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5OIR
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5OIF
 | | InhA (T2A mutant) complexed with 1-benzyl-3-methyl-1H-pyrazol-5-amine | | 分子名称: | 5-methyl-2-(phenylmethyl)pyrazol-3-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Convery, M.A. | | 登録日 | 2017-07-18 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
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5OIL
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5OIS
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