6XQV
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![BU of 6xqv by Molmil](/molmil-images/mine/6xqv) | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae in a pre-acylation complex with ceftriaxone | 分子名称: | CHLORIDE ION, Ceftriaxone, Probable peptidoglycan D,D-transpeptidase PenA, ... | 著者 | Fenton, B.A, Zhou, P, Davies, C. | 登録日 | 2020-07-10 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state. J.Biol.Chem., 297, 2021
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6XQZ
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![BU of 6xqz by Molmil](/molmil-images/mine/6xqz) | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ... | 著者 | Fenton, B.A, Zhou, P, Davies, C. | 登録日 | 2020-07-10 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state. J.Biol.Chem., 297, 2021
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6XQY
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6XQX
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![BU of 6xqx by Molmil](/molmil-images/mine/6xqx) | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5 | 分子名称: | 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION | 著者 | Fenton, B.A, Zhou, P, Davies, C. | 登録日 | 2020-07-10 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state. J.Biol.Chem., 297, 2021
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5BOH
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6XJ3
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![BU of 6xj3 by Molmil](/molmil-images/mine/6xj3) | Crystal structure of Class D beta-lactamase from Klebsiella quasipneumoniae in complex with avibactam | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-06-22 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Class D beta-lactamase from Klebsiella quasipneumoniae To Be Published
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6SKP
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6SKR
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![BU of 6skr by Molmil](/molmil-images/mine/6skr) | OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10. | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, FORMIC ACID, ... | 著者 | Leiros, H.-K.S. | 登録日 | 2019-08-16 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10. Febs Open Bio, 10, 2020
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6SKQ
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6T1H
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![BU of 6t1h by Molmil](/molmil-images/mine/6t1h) | OXA-51-like beta-lactamase OXA-66 | 分子名称: | Beta-lactamase OXA-66, ZINC ION | 著者 | Takebayashi, Y, Chirgadze, D, Henderson, S, Warburton, P.J, Evans, B.E. | 登録日 | 2019-10-04 | 公開日 | 2020-10-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the OXA-51-like beta-lactamase OXA-66 To Be Published
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3ZNT
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![BU of 3znt by Molmil](/molmil-images/mine/3znt) | Crystal structure of OXA-24 class D beta-lactamase with tazobactam | 分子名称: | BETA-LACTAMASE, SULFATE ION, TAZOBACTAM INTERMEDIATE | 著者 | Power, P, Sauvage, E, Herman, R, Kerff, F, Charlier, P. | 登録日 | 2013-02-18 | 公開日 | 2014-01-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure of Oxa-24 Beta-Lactamase Inhibited by Tazobactam To be Published
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6RTN
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![BU of 6rtn by Molmil](/molmil-images/mine/6rtn) | Crystal structure of OXA-10 with VNRX-5133 | 分子名称: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION | 著者 | Brem, J, Schofield, C. | 登録日 | 2019-05-24 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases. J.Med.Chem., 62, 2019
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6WHL
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6XQR
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![BU of 6xqr by Molmil](/molmil-images/mine/6xqr) | OXA-48 bound by Compound 2.2 | 分子名称: | Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | 登録日 | 2020-07-10 | 公開日 | 2021-12-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 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
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6WY4
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![BU of 6wy4 by Molmil](/molmil-images/mine/6wy4) | Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630 | 分子名称: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM 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 | 2020-05-12 | 公開日 | 2020-05-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630 To Be Published
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5CTN
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![BU of 5ctn by Molmil](/molmil-images/mine/5ctn) | Structure of BPu1 beta-lactamase | 分子名称: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2015-07-24 | 公開日 | 2015-11-25 | 最終更新日 | 2016-10-05 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Class D beta-lactamases do exist in Gram-positive bacteria. Nat.Chem.Biol., 12, 2016
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5CRF
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![BU of 5crf by Molmil](/molmil-images/mine/5crf) | Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis | 分子名称: | PHOSPHATE ION, Penicillin-binding protein 1A | 著者 | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | 登録日 | 2015-07-22 | 公開日 | 2016-05-04 | 最終更新日 | 2016-07-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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5CTM
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5KZH
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8SQF
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![BU of 8sqf by Molmil](/molmil-images/mine/8sqf) | OXA-48 bound to inhibitor CDD-2725 | 分子名称: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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8SQG
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![BU of 8sqg by Molmil](/molmil-images/mine/8sqg) | OXA-48 bound to inhibitor CDD-2801 | 分子名称: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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5DTK
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![BU of 5dtk by Molmil](/molmil-images/mine/5dtk) | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | 分子名称: | 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | 登録日 | 2015-09-18 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.60000241 Å) | 主引用文献 | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. J.Med.Chem., 59, 2016
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5L2F
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![BU of 5l2f by Molmil](/molmil-images/mine/5l2f) | High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D bound to doripenem | 分子名称: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase, ... | 著者 | June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T. | 登録日 | 2016-08-01 | 公開日 | 2016-09-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity. Protein Sci., 25, 2016
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5FQ9
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![BU of 5fq9 by Molmil](/molmil-images/mine/5fq9) | Crystal structure of the OXA10 with 1C | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | 著者 | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | 登録日 | 2015-12-08 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
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5MMY
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![BU of 5mmy by Molmil](/molmil-images/mine/5mmy) | Crystal structure of OXA10 with HEPES | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ... | 著者 | Brem, J. | 登録日 | 2016-12-12 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
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