PDB: 503 件ウェブページステータス検索Chemie searchBIRD

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7ATX	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) 分子名称: 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-01 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.795 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
7AU8	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) 分子名称: 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-02 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
7AU9	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) 分子名称: GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-02 公開日 2021-08-11 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.137 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
7ATW	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3) 分子名称: 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-01 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
7AUB	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15) 分子名称: 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-02 公開日 2021-08-11 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.907 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
7AUH	Structure of P. aeruginosa PBP3 in complex with vaborbactam 分子名称: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-03 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.012 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
7AU1	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) 分子名称: 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-02 公開日 2021-08-11 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
5GKV	Crystal Structure of a Novel Penicillin-Binding Protein (PBP) Homolog from Caulobacter crescentus 分子名称: Esterase A 著者 Ngo, T.D, Ryu, B.H, Kim, B.Y, Yoo, W.K, Lee, E.J, Lee, S.J, Kim, T.D, Kim, K.K. 登録日 2016-07-07 公開日 2017-07-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 Biochemical and Structural Analysis of a Novel Penicillin-Binding Protein (PBP) Homolog from Caulobacter crescentus To Be Published
5FAP	CTX-M-15 in complex with FPI-1602 分子名称: Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate 著者 King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. 登録日 2015-12-11 公開日 2016-01-20 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
6P53	Crystal structure of the transpeptidase domain of PBP2 from Neisseria gonorrhoeae in apo form 分子名称: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA 著者 Singh, A, Davies, C. 登録日 2019-05-29 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2. J.Biol.Chem., 294, 2019
6P54	Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by ceftriaxone 分子名称: CEFOTAXIME, C3' cleaved, open, ... 著者 Singh, A, Davies, C. 登録日 2019-05-29 公開日 2019-08-07 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2. J.Biol.Chem., 294, 2019
6P55	Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by cefixime 分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, cefixime, ... 著者 Singh, A, Davies, C. 登録日 2019-05-29 公開日 2019-08-07 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2. J.Biol.Chem., 294, 2019
6P56	Crystal structure of the transpeptidase domain of a T498A mutant of PBP2 from Neisseria gonorrhoeae 分子名称: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA 著者 Singh, A, Davies, C. 登録日 2019-05-29 公開日 2019-08-07 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2. J.Biol.Chem., 294, 2019
6P52	Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae with a bound phosphate at the active site 分子名称: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA 著者 Singh, A, Davies, C. 登録日 2019-05-29 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2. J.Biol.Chem., 294, 2019
7KIS	Crystal structure of Pseudomonas aeruginosa PBP2 in complex with WCK 5153 分子名称: (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Peptidoglycan D,D-transpeptidase MrdA 著者 Rajavel, M, van den Akker, F. 登録日 2020-10-24 公開日 2021-01-13 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.869 Å) 主引用文献 Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
7KIW	Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam 分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Peptidoglycan D,D-transpeptidase FtsI 著者 van den Akker, F, Kumar, V. 登録日 2020-10-25 公開日 2021-01-13 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
7KIV	Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI 著者 van den Akker, F. 登録日 2020-10-24 公開日 2021-01-13 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.389 Å) 主引用文献 Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
7KIT	Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI 著者 van den Akker, F. 登録日 2020-10-24 公開日 2021-01-13 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.089 Å) 主引用文献 Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
2J9P	Crystal structure of the Bacillus subtilis PBP4a, and its complex with a peptidoglycan mimetic peptide. 分子名称: (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID, D-ALANINE, D-alanyl-D-alanine carboxypeptidase DacC 著者 Sauvage, E, Herman, R, Kerff, F, Duez, C, Charlier, P. 登録日 2006-11-15 公開日 2007-07-03 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of the Bacillus subtilis penicillin-binding protein 4a, and its complex with a peptidoglycan mimetic peptide. J. Mol. Biol., 371, 2007
8FEK	Crystal structure of PBP cyclase Ulm16 分子名称: PBP cyclase Ulm16 著者 Patel, R, Budimir, Z, Parkinson, E, Das, C. 登録日 2022-12-06 公開日 2023-11-08 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.058 Å) 主引用文献 Biocatalytic cyclization of small macrolactams by a penicillin-binding protein-type thioesterase. Nat.Chem.Biol., 20, 2024
5J8X	CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C 分子名称: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, D-alanyl-D-alanine carboxypeptidase DacA 著者 Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. 登録日 2016-04-08 公開日 2016-08-17 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
6HR6	Nitrocefin reacted with catalytic serine (Ser294) of penicillin-binding protein 3 from Pseudomonas aeruginosa 分子名称: Nitrocefin - open form, Peptidoglycan D,D-transpeptidase FtsI 著者 Bellini, D, Dowson, C.G. 登録日 2018-09-26 公開日 2019-10-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Nitrocefin acylation of single catalytic serine of penicillin-binding protein 3 from P. aeruginosa To Be Published
6HR9	Nitrocefin acylation of both catalytic serines of the Y409 mutant of penicillin-binding protein 3 from P. aeruginosa 分子名称: Nitrocefin - open form, Peptidoglycan D,D-transpeptidase FtsI 著者 Bellini, D, Dowson, C.G. 登録日 2018-09-26 公開日 2019-10-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Nitrocefin acylation of both catalytic serines of penicillin-binding protein 3 from P. aeruginosa To Be Published
6HR4	Apo form of penicillin-binding protein 3 from P. aeruginosa 分子名称: Peptidoglycan D,D-transpeptidase FtsI 著者 Bellini, D, Dowson, C.G. 登録日 2018-09-26 公開日 2019-10-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Apo form of penicillin-binding protein 3 from P. aeruginosa To Be Published
5FQ9	Crystal structure of the OXA10 with 1C 分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... 著者 Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. 登録日 2015-12-08 公開日 2016-08-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016

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