7RPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rpb by Molmil](/molmil-images/mine/7rpb) | X-ray crystal structure of OXA-24/40 V130D in complex with meropenem | 分子名称: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Powers, R.A, Mitchell, J.M, June, C.M. | 登録日 | 2021-08-03 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40. J.Biol.Chem., 298, 2022
|
|
7RPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rpa by Molmil](/molmil-images/mine/7rpa) | X-ray crystal structure of OXA-24/40 K84D in complex with meropenem | 分子名称: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, Beta-lactamase, ... | 著者 | Powers, R.A, Mitchell, J.M, June, C.M. | 登録日 | 2021-08-03 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40. J.Biol.Chem., 298, 2022
|
|
7RP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rp9 by Molmil](/molmil-images/mine/7rp9) | X-ray crystal structure of OXA-24/40 V130D in complex with imipenem | 分子名称: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, BICARBONATE ION, Beta-lactamase, ... | 著者 | Powers, R.A, Mitchell, J.M, June, C.M. | 登録日 | 2021-08-03 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40. J.Biol.Chem., 298, 2022
|
|
7RP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rp8 by Molmil](/molmil-images/mine/7rp8) | |
7RLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rlr by Molmil](/molmil-images/mine/7rlr) | Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase, ... | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-07-26 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630 To Be Published
|
|
7RL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rl8 by Molmil](/molmil-images/mine/7rl8) | Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630 | 分子名称: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-07-23 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630 To Be Published
|
|
7RD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rd0 by Molmil](/molmil-images/mine/7rd0) | |
7RCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rcz by Molmil](/molmil-images/mine/7rcz) | Crystal structure of C. difficile SpoVD in complex with ampicillin | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sacco, M, Chen, Y. | 登録日 | 2021-07-08 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
|
|
7RCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rcy by Molmil](/molmil-images/mine/7rcy) | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ceftobiprole | 分子名称: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein, ZINC ION | 著者 | Sacco, M, Chen, Y. | 登録日 | 2021-07-08 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
|
|
7RCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rcx by Molmil](/molmil-images/mine/7rcx) | |
7RCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rcw by Molmil](/molmil-images/mine/7rcw) | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sacco, M, Chen, Y. | 登録日 | 2021-07-08 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
|
|
7R6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r6z by Molmil](/molmil-images/mine/7r6z) | OXA-48 bound by Compound 3.3 | 分子名称: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | 登録日 | 2021-06-24 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
|
|
7Q14
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q14 by Molmil](/molmil-images/mine/7q14) | |
7PSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7psf by Molmil](/molmil-images/mine/7psf) | |
7PSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pse by Molmil](/molmil-images/mine/7pse) | Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ... | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-09-23 | 公開日 | 2022-10-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
|
|
7PGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pgo by Molmil](/molmil-images/mine/7pgo) | Crystal Structure of a Class D Carbapenemase_R250A | 分子名称: | 1-BUTANOL, BROMIDE ION, Beta-lactamase | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-08-15 | 公開日 | 2022-08-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
|
|
7PFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pfn by Molmil](/molmil-images/mine/7pfn) | |
7PEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pep by Molmil](/molmil-images/mine/7pep) | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | 分子名称: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ... | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-08-11 | 公開日 | 2022-08-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
|
|
7PEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pei by Molmil](/molmil-images/mine/7pei) | |
7PEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7peh by Molmil](/molmil-images/mine/7peh) | Crystal Structure of a Class D Carbapenemase | 分子名称: | 1-BUTANOL, Beta-lactamase | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-08-10 | 公開日 | 2022-08-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
|
|
7ONZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7onz by Molmil](/molmil-images/mine/7onz) | |
7ONY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ony by Molmil](/molmil-images/mine/7ony) | Crystal structure of PBP3 from P. aeruginosa | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Freischem, S, Grimm, I, Weiergraeber, O.H. | 登録日 | 2021-05-26 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria. Biomolecules, 11, 2021
|
|
7ONX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7onx by Molmil](/molmil-images/mine/7onx) | Crystal structure of PBP3 from P. aeruginosa | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | 著者 | Freischem, S, Grimm, I, Weiergraeber, O.H. | 登録日 | 2021-05-26 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria. Biomolecules, 11, 2021
|
|
7ONW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7onw by Molmil](/molmil-images/mine/7onw) | Crystal structure of PBP3 from E. coli in complex with AIC499 | 分子名称: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ... | 著者 | Freischem, S, Grimm, I, Weiergraeber, O.H. | 登録日 | 2021-05-26 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria. Biomolecules, 11, 2021
|
|
7ONO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ono by Molmil](/molmil-images/mine/7ono) | |