PDB: 1012 件ウェブページステータス検索Chemie searchBIRD

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4EBL	BlaC E166A Faropenem Acyl-Intermediate Complex 分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Mire, J.A, TB Structural Genomics Consortium (TBSGC) 登録日 2012-03-23 公開日 2013-04-03 最終更新日 2017-02-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo To be Published
6AFP	Crystal structure of class A b-lactamase, PenL, variant Asn136Asp, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid 分子名称: ACETATE ION, Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE 著者 Cao, T.-P, Choi, J.M, Lee, S.H. 登録日 2018-08-08 公開日 2020-01-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.398 Å) 主引用文献 Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs. Front Mol Biosci, 2020
6AFM	Crystal structure of class A b-lactamase, PenL, variant Cys69Tyr, from Burkholderia thailandensis 分子名称: Beta-lactamase 著者 Cao, T.-P, Choi, J.M, Lee, S.H. 登録日 2018-08-08 公開日 2020-01-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs. Front Mol Biosci, 2020
4GD6	SHV-1 beta-lactamase in complex with penam sulfone SA1-204 分子名称: (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE 著者 van den Akker, F, Wei, K. 登録日 2012-07-31 公開日 2013-07-31 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
6AFO	Crystal structure of class A b-lactamase, PenL, variant Asn136Asp, from Burkholderia thailandensis 分子名称: Beta-lactamase 著者 Cao, T.-P, Choi, J.M, Lee, S.H. 登録日 2018-08-08 公開日 2020-01-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.399 Å) 主引用文献 Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs. Front Mol Biosci, 2020
6AFN	Crystal structure of class A b-lactamase, PenL, variant Cys69Tyr, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid 分子名称: Beta-lactamase, GLYCEROL, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE 著者 Cao, T.-P, Choi, J.M, Lee, S.H. 登録日 2018-08-08 公開日 2020-01-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs. Front Mol Biosci, 2020
4DE3	CTX-M-9 class A beta-lactamase complexed with compound 4 分子名称: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
6APA	Crystal structure of TEM1 beta-lactamase mutant I263A 分子名称: Beta-lactamase TEM 著者 Roose, B.W, Dmochowski, I.J. 登録日 2017-08-17 公開日 2018-08-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase. Chemphyschem, 20, 2019
6B1J	Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by soaking 分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ... 著者 van den Akker, F, Nguyen, N.Q. 登録日 2017-09-18 公開日 2018-08-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
4DDY	CTX-M-9 class A beta-lactamase complexed with compound 10 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
6B1F	Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by soaking 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, 1,2-ETHANEDIOL, CITRIC ACID, ... 著者 van den Akker, F, Nguyen, N.Q. 登録日 2017-09-18 公開日 2018-08-01 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
6B1H	Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by co-crystallization 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, ACETATE ION, CHLORIDE ION, ... 著者 van den Akker, F, Nhuyen, N.Q. 登録日 2017-09-18 公開日 2018-08-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
6B69	Beta-Lactamase, 500ms timepoint, mixed, shards crystal form 分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ... 著者 Pandey, S, Schmidt, M. 登録日 2017-10-01 公開日 2018-06-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B6D	Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms 分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone 著者 Pandey, S, Schmidt, M. 登録日 2017-10-01 公開日 2018-06-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
4DDS	CTX-M-9 class A beta-lactamase complexed with compound 11 分子名称: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
6AYK	Crystal structure of TEM1 beta-lactamase mutant I263A in the presence of 1.2 MPa xenon 分子名称: Beta-lactamase TEM, XENON 著者 Roose, B.W, Dmochowski, I.J. 登録日 2017-09-08 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase. Chemphyschem, 20, 2019
4DE0	CTX-M-9 class A beta-lactamase complexed with compound 16 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide 著者 Nichols, D.N, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
6B5Y	Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form 分子名称: Beta-lactamase, Ceftriaxone, PHOSPHATE ION 著者 Pandey, S, Schmidt, M. 登録日 2017-09-29 公開日 2018-06-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B6A	Beta-Lactamase, 2secs timepoint, mixed, shards crystal form 分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... 著者 Pandey, S, Schmidt, M. 登録日 2017-10-01 公開日 2018-06-27 最終更新日 2020-01-15 実験手法 X-RAY DIFFRACTION (2.298 Å) 主引用文献 Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B6B	Beta-Lactamase, unmixed needles crystal form 分子名称: Beta-lactamase 著者 Pandey, S, Schmidt, M. 登録日 2017-10-01 公開日 2018-06-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
4GDB	SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor 分子名称: (7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ... 著者 Ke, W, van den Akker, F. 登録日 2012-07-31 公開日 2013-07-31 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
6B1W	Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by co-crystallization 分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ... 著者 van den Akker, F, Nguyen, N.Q. 登録日 2017-09-19 公開日 2018-08-01 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
6B6E	Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms 分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone 著者 Pandey, S, Schmidt, M. 登録日 2017-10-01 公開日 2018-06-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B6C	Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms 分子名称: Beta-lactamase, Ceftriaxone 著者 Pandey, S, Schmidt, M. 登録日 2017-10-01 公開日 2018-06-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B1Y	Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by co-crystallization 分子名称: (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ... 著者 van den Akker, F, Nguyen, N.Q. 登録日 2017-09-19 公開日 2018-08-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018

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