8PGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgt by Molmil](/molmil-images/mine/8pgt) | Crystal structure of the metallo-beta-lactamase VIM1 with 3393 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3393 To Be Published
|
|
8PGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgk by Molmil](/molmil-images/mine/8pgk) | Crystal structure of the metallo-beta-lactamase VIM1 with 3016 | Descriptor: | 7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3016 To Be Published
|
|
8PGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgn by Molmil](/molmil-images/mine/8pgn) | Crystal structure of the metallo-beta-lactamase VIM1 with 3169 | Descriptor: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3169 To Be Published
|
|
8PGL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgl by Molmil](/molmil-images/mine/8pgl) | Crystal structure of the metallo-beta-lactamase VIM1 with 3027 | Descriptor: | 7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3027 To Be Published
|
|
8PGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgr by Molmil](/molmil-images/mine/8pgr) | Crystal structure of the metallo-beta-lactamase VIM1 with 3270 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-methoxypyridin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3270 To Be Published
|
|
8PGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgq by Molmil](/molmil-images/mine/8pgq) | Crystal structure of the metallo-beta-lactamase VIM1 with 3225 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3225 To Be Published
|
|
8PGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgw by Molmil](/molmil-images/mine/8pgw) | Crystal structure of the metallo-beta-lactamase VIM1 with 3460 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3460 To Be Published
|
|
8PGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgy by Molmil](/molmil-images/mine/8pgy) | Crystal structure of the metallo-beta-lactamase VIM1 with 3462 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-methoxy-5-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3462 To Be Published
|
|
8PGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgz by Molmil](/molmil-images/mine/8pgz) | Crystal structure of the metallo-beta-lactamase VIM1 with 3528 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3528 To Be Published
|
|
8PH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ph0 by Molmil](/molmil-images/mine/8ph0) | Crystal structure of the metallo-beta-lactamase VIM1 with 3637 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3637 To Be Published
|
|
8PH3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ph3 by Molmil](/molmil-images/mine/8ph3) | Crystal structure of the metallo-beta-lactamase VIM1 with 3747 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3747 To Be Published
|
|
5NE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ne2 by Molmil](/molmil-images/mine/5ne2) | L2 class A serine-beta-lactamase | Descriptor: | Beta-lactamase, D-GLUTAMIC ACID | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
|
|
5NE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ne3 by Molmil](/molmil-images/mine/5ne3) | L2 class A serine-beta-lactamase complexed with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
|
|
5NE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ne1 by Molmil](/molmil-images/mine/5ne1) | L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | Descriptor: | (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, Beta-lactamase, TRIETHYLENE GLYCOL | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
|
|
7AYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ayj by Molmil](/molmil-images/mine/7ayj) | Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor. | Descriptor: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J. | Deposit date: | 2020-11-12 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates. Acs Infect Dis., 7, 2021
|
|
6I30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i30 by Molmil](/molmil-images/mine/6i30) | Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301 | Authors: | Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J. | Deposit date: | 2018-11-02 | Release date: | 2019-02-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates. Biochim Biophys Acta Gen Subj, 1863, 2019
|
|
5HH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hh5 by Molmil](/molmil-images/mine/5hh5) | |
5HH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hh4 by Molmil](/molmil-images/mine/5hh4) | |
5HH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hh6 by Molmil](/molmil-images/mine/5hh6) | |
7AFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7afz by Molmil](/molmil-images/mine/7afz) | L1 metallo-b-lactamase with compound EBL-1306 | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J, Brem, J. | Deposit date: | 2020-09-21 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors. Nat.Chem., 14, 2022
|
|
6YEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yen by Molmil](/molmil-images/mine/6yen) | Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133) | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ... | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.418 Å) | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli . Biomolecules, 10, 2020
|
|
6YPD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ypd by Molmil](/molmil-images/mine/6ypd) | Crystal structure of AmpC from E. coli with Cyclic Boronate 3 (CB3 / APC308) | Descriptor: | (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2020-04-15 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli . Biomolecules, 10, 2020
|
|
6YEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yeo by Molmil](/molmil-images/mine/6yeo) | Crystal structure of AmpC from E. coli with cyclic boronate 2 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Lang, P.A, Schofield, C.J, Brem, J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.037 Å) | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli . Biomolecules, 10, 2020
|
|
6Y6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y6j by Molmil](/molmil-images/mine/6y6j) | VIM-2 in Complex with Biapenem Imine and Enamine Hydrolysis Products | Descriptor: | Biapenem Enamine hydrolysis product, Biapenem Imine hydrolysis product, CHLORIDE ION, ... | Authors: | Lucic, A, Schofield, C.J, Brem, J, McDonough, M.A. | Deposit date: | 2020-02-26 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of metallo-beta-lactamase VIM-2 in complex with the imine and enamine form of hydrolysed Biapenem To Be Published
|
|
6RPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rpn by Molmil](/molmil-images/mine/6rpn) | Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308. | Descriptor: | (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ... | Authors: | Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J. | Deposit date: | 2019-05-14 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.409 Å) | Cite: | Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate. Acs Infect Dis., 6, 2020
|
|