7A60
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![BU of 7a60 by Molmil](/molmil-images/mine/7a60) | Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form) | 分子名称: | (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-24 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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7A61
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![BU of 7a61 by Molmil](/molmil-images/mine/7a61) | Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form) | 分子名称: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-24 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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7A63
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![BU of 7a63 by Molmil](/molmil-images/mine/7a63) | Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form) | 分子名称: | (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-24 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.57000113 Å) | 主引用文献 | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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7AFZ
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![BU of 7afz by Molmil](/molmil-images/mine/7afz) | L1 metallo-b-lactamase with compound EBL-1306 | 分子名称: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J, Brem, J. | 登録日 | 2020-09-21 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors. Nat.Chem., 14, 2022
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6YVT
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![BU of 6yvt by Molmil](/molmil-images/mine/6yvt) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253 | 分子名称: | 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ... | 著者 | Chowdhury, R, Demetriades, M, Schofield, C.J. | 登録日 | 2020-04-28 | 公開日 | 2020-05-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.847 Å) | 主引用文献 | Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors. Angew.Chem.Int.Ed.Engl., 51, 2012
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2JKV
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![BU of 2jkv by Molmil](/molmil-images/mine/2jkv) | Structure of human Phosphogluconate Dehydrogenase in complex with NADPH at 2.53A | 分子名称: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, CHLORIDE ION, ... | 著者 | Pilka, E.S, Kavanagh, K.L, von Delft, F, Muniz, J.R.C, Murray, J, Picaud, S, Guo, K, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Oppermann, U. | 登録日 | 2008-09-01 | 公開日 | 2009-09-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.532 Å) | 主引用文献 | Structure of Human Phosphogluconate Dehydrogenase in Complex with Nadph at 2.53A To be Published
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4KQO
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![BU of 4kqo by Molmil](/molmil-images/mine/4kqo) | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin | 分子名称: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | 著者 | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | 登録日 | 2013-05-15 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4LIV
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![BU of 4liv by Molmil](/molmil-images/mine/4liv) | |
4LIU
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![BU of 4liu by Molmil](/molmil-images/mine/4liu) | Structure of YcfD, a Ribosomal oxygenase from Escherichia coli. | 分子名称: | 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | 著者 | Brissett, N.C, Doherty, A.J, Fox, G.C. | 登録日 | 2013-07-03 | 公開日 | 2014-05-14 | 最終更新日 | 2014-07-09 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 509, 2014
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4LIT
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![BU of 4lit by Molmil](/molmil-images/mine/4lit) | |
4KQR
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![BU of 4kqr by Molmil](/molmil-images/mine/4kqr) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | 分子名称: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | 著者 | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | 登録日 | 2013-05-15 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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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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5MOX
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![BU of 5mox by Molmil](/molmil-images/mine/5mox) | OXA-10 Avibactam complex with bound CO2 | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ... | 著者 | Brem, J. | 登録日 | 2016-12-14 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.41 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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5N5H
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![BU of 5n5h by Molmil](/molmil-images/mine/5n5h) | Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION | 著者 | Salimraj, R, Hinchliffe, P, Spencer, J. | 登録日 | 2017-02-14 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases. FEBS J., 286, 2019
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5N5I
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![BU of 5n5i by Molmil](/molmil-images/mine/5n5i) | Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem | 分子名称: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | 著者 | Salimraj, R, Hinchliffe, P, Spencer, J. | 登録日 | 2017-02-14 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases. FEBS J., 286, 2019
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5N5G
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5MOZ
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![BU of 5moz by Molmil](/molmil-images/mine/5moz) | OXA-10 Avibactam complex with bound Iodide | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | 著者 | Brem, J. | 登録日 | 2016-12-15 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.34 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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1SDE
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![BU of 1sde by Molmil](/molmil-images/mine/1sde) | Toward Better Antibiotics: Crystal Structure Of D-Ala-D-Ala Peptidase inhibited by a novel bicyclic phosphate inhibitor | 分子名称: | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | 著者 | Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A. | 登録日 | 2004-02-13 | 公開日 | 2004-10-12 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors Biochemistry, 43, 2004
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1SCW
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![BU of 1scw by Molmil](/molmil-images/mine/1scw) | TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR | 分子名称: | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | 著者 | Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A. | 登録日 | 2004-02-12 | 公開日 | 2004-06-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Toward Better Antibiotics: Crystallographic Studies of a Novel Class of DD-Peptidase/beta-Lactamase Inhibitors. Biochemistry, 43, 2004
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4CCJ
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![BU of 4ccj by Molmil](/molmil-images/mine/4ccj) | 60S ribosomal protein L8 histidine hydroxylase (NO66) in apo form | 分子名称: | 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66 | 著者 | Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J. | 登録日 | 2013-10-23 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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4CCM
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![BU of 4ccm by Molmil](/molmil-images/mine/4ccm) | 60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-1) | 分子名称: | 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ... | 著者 | Chowdhury, R, Schofield, C.J. | 登録日 | 2013-10-23 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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4CCO
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![BU of 4cco by Molmil](/molmil-images/mine/4cco) | 60S ribosomal protein L8 histidine hydroxylase (NO66 S373C) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G214C) peptide fragment (complex-3) | 分子名称: | 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ... | 著者 | Chowdhury, R, Schofield, C.J. | 登録日 | 2013-10-23 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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4BXF
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4CCN
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![BU of 4ccn by Molmil](/molmil-images/mine/4ccn) | 60S ribosomal protein L8 histidine hydroxylase (NO66 L299C/C300S) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-2) | 分子名称: | 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ... | 著者 | Chowdhury, R, Schofield, C.J. | 登録日 | 2013-10-23 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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4BQX
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![BU of 4bqx by Molmil](/molmil-images/mine/4bqx) | |