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6J2K
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CTX-M-64 beta-lactamase S130T clavulanic acid complex
分子名称: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2019-01-01
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J2O
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Crystal structure of CTX-M-64 clavulanic acid complex
分子名称: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2019-01-02
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
分子名称: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6K8X
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BU of 6k8x by Molmil
Crystal structure of a class C beta lactamase
分子名称: Beta-lactamase
著者Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S.
登録日2019-06-13
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
6K9T
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BU of 6k9t by Molmil
Crystal structure of a class C beta-lactamase in complex with cefotaxime
分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
著者Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S.
登録日2019-06-17
公開日2019-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.459 Å)
主引用文献Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
6KA5
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Crystal structure of a class C beta-lactamase in complex with cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase
著者Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S.
登録日2019-06-20
公開日2019-10-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
6KBY
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BU of 6kby by Molmil
Crystal structure of a class C beta lactamase in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Beta-lactamase
著者Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S.
登録日2019-06-26
公開日2019-10-16
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (1.097 Å)
主引用文献Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
6KJC
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BU of 6kjc by Molmil
lovastatin esterase PcEST, wild type
分子名称: FORMIC ACID, Pc15g00720 protein
著者Liang, Y.J, Lu, X.F.
登録日2019-07-22
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
6KJD
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BU of 6kjd by Molmil
lovastatin esterase PcEST inactive mutant S57A in complex with lovastatin
分子名称: (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Pc15g00720 protein, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
著者Liang, Y.J, Lu, X.F.
登録日2019-07-22
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
6KJE
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BU of 6kje by Molmil
lovastatin esterase PcEST in complex with monacolin J
分子名称: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, ACETATE ION, Pc15g00720 protein, ...
著者Liang, Y.J, Lu, X.F.
登録日2019-07-22
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.484 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
6KJF
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BU of 6kjf by Molmil
lovastatin esterase PcEST in complex with simvastatin
分子名称: Pc15g00720 protein, Simvastatin acid, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
著者Liang, Y.J, Lu, X.F.
登録日2019-07-22
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
6KJH
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BU of 6kjh by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: Putative beta-lactamase, SULFATE ION
著者Xiao, F, Sheng, D, Feng, Y, Li, W.
登録日2019-07-22
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJJ
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BU of 6kjj by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-22
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJP
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BU of 6kjp by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase, SULFATE ION
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJQ
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BU of 6kjq by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJR
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BU of 6kjr by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.361 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJT
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BU of 6kjt by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: Putative beta-lactamase, SUCCINIC ACID
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KSU
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BU of 6ksu by Molmil
Crystal structure of SurE
分子名称: Alpha/beta hydrolase, MALONATE ION, SULFATE ION, ...
著者Zhai, R, Mori, T, Abe, I.
登録日2019-08-26
公開日2020-06-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Heterochiral coupling in non-ribosomal peptide macrolactamization
Nat Catal, 2020
6KSV
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BU of 6ksv by Molmil
Crystal structure of SurE with D-Leu
分子名称: Alpha/beta hydrolase, D-LEUCINE, S-(2-acetamidoethyl) (2R)-2-azanyl-4-methyl-pentanethioate, ...
著者Zhai, R, Mori, T, Abe, I.
登録日2019-08-26
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Heterochiral coupling in non-ribosomal peptide macrolactamization
Nat Catal, 2020
6LC7
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BU of 6lc7 by Molmil
Crystal structure of AmpC Ent385 free form
分子名称: 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, GLYCEROL, ...
著者Kawai, A, Doi, Y.
登録日2019-11-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
6LC8
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Crystal structure of AmpC Ent385 complex form with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, ...
著者Kawai, A, Doi, Y.
登録日2019-11-18
公開日2020-04-22
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
6LC9
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BU of 6lc9 by Molmil
Crystal structure of AmpC Ent385 complex form with ceftazidime
分子名称: 1,4-DIETHYLENE DIOXIDE, ACYLATED CEFTAZIDIME, Beta-lactamase, ...
著者Kawai, A, Doi, Y.
登録日2019-11-18
公開日2020-04-22
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020

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件を2024-08-07に公開中

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