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1MPL
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CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE
分子名称: D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
著者Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A.
登録日2002-09-12
公開日2003-02-25
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献The Crystal Structure of Phosphonate-Inhibited d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State.
Biochemistry, 42, 2003
3A65
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Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2009-08-21
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis
To be Published
3VWP
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Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
to be published
3VWN
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Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3A66
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Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N/D370Y mutant with substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOATE-DIMER HYDROLASE, 6-AMINOHEXANOIC ACID, ...
著者Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2009-08-21
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis
To be Published
3VWL
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BU of 3vwl by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
4N9K
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crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-21
公開日2014-09-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4QD4
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Structure of ADC-68, a Novel Carbapenem-Hydrolyzing Class C Extended-Spectrum -Lactamase from Acinetobacter baumannii
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase ADC-68, CITRIC ACID
著者Hong, M.K, Kang, L.W.
登録日2014-05-13
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of ADC-68, a novel carbapenem-hydrolyzing class C extended-spectrum beta-lactamase isolated from Acinetobacter baumannii
Acta Crystallogr.,Sect.D, 70, 2014
1PI5
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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
1PI4
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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
3B3X
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Crystal structure of class A beta-lactamase of Bacillus licheniformis BS3 with aminocitrate
分子名称: 2-(carboxymethyl)-D-aspartic acid, Beta-lactamase
著者Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2007-10-23
公開日2007-11-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Aminopropane-1,2,3-tricarboxylic acid: Synthesis and co-crystallization with the class A beta-lactamase BS3 of Bacillus licheniformis
Bioorg.Med.Chem.Lett., 18, 2008
3WS4
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N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-2A)
分子名称: Beta-lactamase, CHLORIDE ION, STRONTIUM ION
著者Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
登録日2014-02-28
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
1ONH
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BU of 1onh by Molmil
GC1 beta-lactamase with a penem inhibitor
分子名称: 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
著者Nukaga, M, Nukaga, K, Knox, J.R.
登録日2003-02-27
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
1PWD
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Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C
分子名称: (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase precursor
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
4OOY
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BU of 4ooy by Molmil
Avibactam and class C beta-lactamases: mechanism of inhibition, conservation of binding pocket and implications for resistance
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Lahiri, S.D, Olivier, N.B, Alm, R.A.
登録日2014-02-04
公開日2014-08-20
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Avibactam and Class C beta-Lactamases: Mechanism of Inhibition, Conservation of the Binding Pocket, and Implications for Resistance.
Antimicrob.Agents Chemother., 58, 2014
3WRT
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Wild type beta-lactamase DERIVED FROM CHROMOHALOBACTER SP.560
分子名称: Beta-lactamase
著者Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
登録日2014-02-27
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
2ZM2
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BU of 2zm2 by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, A61V/A124V/R187S/F264C/G291R/G338A/D370Y mutant (Hyb-S4M94)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S.
登録日2008-04-10
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
1PW1
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Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
分子名称: (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, FORMYL GROUP, ...
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-06-30
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1Q2Q
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Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229
分子名称: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
著者Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
登録日2003-07-25
公開日2004-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
2ZM0
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Structure of 6-aminohexanoate-dimer hydrolase, G181D/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S.
登録日2008-04-10
公開日2009-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold.
Febs J., 276, 2009
1PWC
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penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G
分子名称: D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
3WS2
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N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-1C)
分子名称: Beta-lactamase, CALCIUM ION, CESIUM ION
著者Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
登録日2014-02-27
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
3W8K
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Crystal structure of class C beta-lactamase Mox-1
分子名称: ACETATE ION, Beta-lactamase, ZINC ION
著者Shimizu-ibuka, A, Oguri, T, Furuyama, T, Ishii, Y.
登録日2013-03-15
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Mox-1, a unique plasmid-mediated class C beta-lactamase with hydrolytic activity towards moxalactam
Antimicrob.Agents Chemother., 58, 2014
3WS1
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N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-1B)
分子名称: Beta-lactamase, CALCIUM ION, CESIUM ION
著者Arai, S, Yonezawa, Y, Okazaki, N, Matsumoto, F, Shimizu, R, Yamada, M, Adachi, M, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
登録日2014-02-27
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a highly acidic beta-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs(+)-selective binding site
Acta Crystallogr.,Sect.D, 71, 2015
2ZMA
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Crystal Structure of 6-Aminohexanoate-dimer Hydrolase S112A/G181D/H266N/D370Y Mutant with Substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2008-04-14
公開日2009-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009

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