5MNU
| OXA-10 Avibactam complex with bound bromide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ... | Authors: | Brem, J, McDonough, M, Clifton, I. | Deposit date: | 2016-12-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | (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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4C5X
| Ultra High Resolution Dickerson-Drew dodecamer B-DNA with 5-Hydroxymethyl-cytosine Modification | Descriptor: | 5'-D(CP*GP*CP*GP*AP*AP*TP*TP*5HCP*GP*CP*GP)-3', MAGNESIUM ION | Authors: | McDonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | Deposit date: | 2013-09-16 | Release date: | 2013-10-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural insights into how 5-hydroxymethylation influences transcription factor binding. Chem. Commun. (Camb.), 50, 2014
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4C63
| ULTRA HIGH RESOLUTION DICKERSON-DREW DODECAMER B-DNA WITH 5- METHYLCYSTOSINE MODIFICATION | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*5CMP*GP*CP*GP)-3', MAGNESIUM ION | Authors: | Mcdonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural insights into how 5-hydroxymethylation influences transcription factor binding. Chem. Commun. (Camb.), 50, 2014
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4C64
| ULTRA HIGH RESOLUTION DICKERSON-DREW DODECAMER B-DNA | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*GP)-3', MAGNESIUM ION | Authors: | Mcdonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural insights into how 5-hydroxymethylation influences transcription factor binding. Chem. Commun. (Camb.), 50, 2014
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1PWD
| Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C | Descriptor: | (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase precursor | Authors: | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | Deposit date: | 2003-07-01 | Release date: | 2004-07-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin" J.Mol.Biol., 345, 2005
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1PW1
| Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin | Descriptor: | (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, FORMYL GROUP, ... | Authors: | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | Deposit date: | 2003-06-30 | Release date: | 2004-07-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin" J.Mol.Biol., 345, 2005
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1PWC
| penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G | Descriptor: | D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G | Authors: | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | Deposit date: | 2003-07-01 | Release date: | 2004-07-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin" J.Mol.Biol., 345, 2005
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1PW8
| Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin | Descriptor: | (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | Authors: | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | Deposit date: | 2003-07-01 | Release date: | 2004-07-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin" J.Mol.Biol., 345, 2005
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1PWG
| Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase | Authors: | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | Deposit date: | 2003-07-01 | Release date: | 2004-07-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.074 Å) | Cite: | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin" J.Mol.Biol., 345, 2005
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2JKV
| Structure of human Phosphogluconate Dehydrogenase in complex with NADPH at 2.53A | Descriptor: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2008-09-01 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.532 Å) | Cite: | Structure of Human Phosphogluconate Dehydrogenase in Complex with Nadph at 2.53A To be Published
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6H8P
| JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer) | Descriptor: | CHLORIDE ION, GLYCEROL, Histone H1.4, ... | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | Deposit date: | 2018-08-03 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26. FEBS Lett., 592, 2018
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6YVT
| HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253 | Descriptor: | 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ... | Authors: | Chowdhury, R, Demetriades, M, Schofield, C.J. | Deposit date: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.847 Å) | Cite: | Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors. Angew.Chem.Int.Ed.Engl., 51, 2012
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7A5Z
| Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product | Descriptor: | (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, CHLORIDE ION, ... | Authors: | Lucic, A, Schofield, C.J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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7A60
| Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form) | Descriptor: | (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, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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7A61
| Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form) | Descriptor: | (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, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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7A63
| Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form) | Descriptor: | (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, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57000113 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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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
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4KQQ
| CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (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, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4KQO
| Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4KQR
| CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (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, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4LIT
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4LIU
| Structure of YcfD, a Ribosomal oxygenase from Escherichia coli. | Descriptor: | 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Brissett, N.C, Doherty, A.J, Fox, G.C. | Deposit date: | 2013-07-03 | Release date: | 2014-05-14 | Last modified: | 2014-07-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 509, 2014
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4LIV
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7VCE
| Structural studies of human inositol monophosphatase-1 inhibition by ebselen | Descriptor: | Inositol monophosphatase 1 | Authors: | Abuhammad, A, Laurieri, N, Rice, A, Lowe, E.D, McDonough, M.A, Singh, N, Churchill, G.C. | Deposit date: | 2021-09-02 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselen. J.Biomol.Struct.Dyn., 2023
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1SCW
| TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR | Descriptor: | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | Authors: | Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A. | Deposit date: | 2004-02-12 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Toward Better Antibiotics: Crystallographic Studies of a Novel Class of DD-Peptidase/beta-Lactamase Inhibitors. Biochemistry, 43, 2004
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