6OP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6op7 by Molmil](/molmil-images/mine/6op7) | Structure of oxidized VIM-20 | 分子名称: | ACETATE ION, Metallo-beta-lactamase VIM-20, ZINC ION | 著者 | Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C. | 登録日 | 2019-04-24 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions. Mbio, 10, 2019
|
|
3RXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rxx by Molmil](/molmil-images/mine/3rxx) | KPC-2 carbapenemase in complex with 3-NPBA | 分子名称: | 3-NITROPHENYLBORONIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | 著者 | Ke, W, van den Akker, F. | 登録日 | 2011-05-10 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother., 56, 2012
|
|
3RXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rxw by Molmil](/molmil-images/mine/3rxw) | KPC-2 carbapenemase in complex with PSR3-226 | 分子名称: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | 著者 | Ke, W, van den Akker, F. | 登録日 | 2011-05-10 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother., 56, 2012
|
|
4R3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r3b by Molmil](/molmil-images/mine/4r3b) | |
4MBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mbk by Molmil](/molmil-images/mine/4mbk) | |
4MBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mbh by Molmil](/molmil-images/mine/4mbh) | |
4MBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mbf by Molmil](/molmil-images/mine/4mbf) | |
2H5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h5s by Molmil](/molmil-images/mine/2h5s) | SA2-13 penam sulfone complexed to wt SHV-1 beta-lactamase | 分子名称: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SHV-1 beta-lactamase | 著者 | van den Akker, F, Padayatti, P.S. | 登録日 | 2006-05-27 | 公開日 | 2006-10-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Rational Design of a beta-Lactamase Inhibitor Achieved via Stabilization of the trans-Enamine Intermediate: 1.28 A Crystal Structure of wt SHV-1 Complex with a Penam Sulfone. J.Am.Chem.Soc., 128, 2006
|
|
3FYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fyz by Molmil](/molmil-images/mine/3fyz) | OXA-24 beta-lactamase complex with SA4-17 inhibitor | 分子名称: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | 著者 | Romero, A, Santillana, E. | 登録日 | 2009-01-23 | 公開日 | 2010-02-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
|
|
3FZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fzc by Molmil](/molmil-images/mine/3fzc) | OXA-24 beta-lactamase complex with SA3-53 inhibitor | 分子名称: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | 著者 | Romero, A, Santillana, E. | 登録日 | 2009-01-24 | 公開日 | 2010-02-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
|
|
3G4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g4p by Molmil](/molmil-images/mine/3g4p) | OXA-24 beta-lactamase at pH 7.5 | 分子名称: | Beta-lactamase OXA-24 | 著者 | Santillana, E, Romero, A. | 登録日 | 2009-02-04 | 公開日 | 2010-02-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase J.Am.Chem.Soc., 132, 2010
|
|
7LC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lc4 by Molmil](/molmil-images/mine/7lc4) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911 | 分子名称: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | 著者 | van den Akker, F, Kumar, V. | 登録日 | 2021-01-09 | 公開日 | 2021-04-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp. Eur.J.Med.Chem., 220, 2021
|
|
4GD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gd6 by Molmil](/molmil-images/mine/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
|
|
4GDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gdb by Molmil](/molmil-images/mine/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
|
|
4GD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gd8 by Molmil](/molmil-images/mine/4gd8) | SHV-1 beta-lactamase in complex with penam sulfone SA3-53 | 分子名称: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | Pattanaik, P, van den Akker, F. | 登録日 | 2012-07-31 | 公開日 | 2013-07-31 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (1.6 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
|
|
4FH2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fh2 by Molmil](/molmil-images/mine/4fh2) | Structure of s70c beta-lactamase bound to sulbactam | 分子名称: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SULBACTAM | 著者 | Rodkey, E.A, van den Akker, F. | 登録日 | 2012-06-05 | 公開日 | 2012-09-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
|
|
4JPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jpm by Molmil](/molmil-images/mine/4jpm) | |
4JLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jlf by Molmil](/molmil-images/mine/4jlf) | Inhibitor resistant (R220A) substitution in the Mycobacterium tuberculosis beta-lactamase | 分子名称: | Beta-lactamase, PHOSPHATE ION | 著者 | Hazra, S, Kurz, S, Blanchard, J, Bonomo, R. | 登録日 | 2013-03-12 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Can inhibitor-resistant substitutions in the Mycobacterium tuberculosis beta-Lactamase BlaC lead to clavulanate resistance?: a biochemical rationale for the use of beta-lactam-beta-lactamase inhibitor combinations. Antimicrob.Agents Chemother., 57, 2013
|
|
7R3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r3r by Molmil](/molmil-images/mine/7r3r) | |
7R3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r3q by Molmil](/molmil-images/mine/7r3q) | |
7TBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tbx by Molmil](/molmil-images/mine/7tbx) | Crystal structure of D179Y KPC-2 beta-lactamase | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | van den Akker, F, Alsenani, T. | 登録日 | 2021-12-22 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | 主引用文献 | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
|
|
7TC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tc1 by Molmil](/molmil-images/mine/7tc1) | |
7TB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tb7 by Molmil](/molmil-images/mine/7tb7) | Crystal structure of D179N KPC-2 beta-lactamase | 分子名称: | CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | van den Akker, F, Alsenani, T. | 登録日 | 2021-12-21 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
|
|
3MXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mxs by Molmil](/molmil-images/mine/3mxs) | SHV-1 beta-lactamase complex with compound 2 | 分子名称: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide | 著者 | Ke, W, van den Akker, F. | 登録日 | 2010-05-07 | 公開日 | 2010-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
|
|
3MKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mkf by Molmil](/molmil-images/mine/3mkf) | SHV-1 beta-lactamase complex with GB0301 | 分子名称: | ({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | van den Akker, F, Ke, W. | 登録日 | 2010-04-14 | 公開日 | 2010-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
|
|