5JQY
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5JZ8
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![BU of 5jz8 by Molmil](/molmil-images/mine/5jz8) | Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) | Descriptor: | ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | McDonough, M.A, Pfeffer, I. | Deposit date: | 2016-05-16 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nat Commun, 10, 2019
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5JTC
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![BU of 5jtc by Molmil](/molmil-images/mine/5jtc) | Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, 2,4-pyridine dicarboxylate and factor X substrate peptide fragment(39mer-4Ser) | Descriptor: | Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ... | Authors: | McDonough, M.A, Pfeffer, I. | Deposit date: | 2016-05-09 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase: a high-throughput mass spectrometric assay for discovery of small molecule inhibitors. Sci Rep, 10, 2020
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5JZ6
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5JZA
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5JZU
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![BU of 5jzu by Molmil](/molmil-images/mine/5jzu) | |
5LRM
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![BU of 5lrm by Molmil](/molmil-images/mine/5lrm) | Structure of di-zinc MCR-1 in P41212 space group | Descriptor: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1. Sci Rep, 7, 2017
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5LS3
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5LRN
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![BU of 5lrn by Molmil](/molmil-images/mine/5lrn) | Structure of mono-zinc MCR-1 in P21 space group | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION | Authors: | Hinchliffe, P, Paterson, N.G, Spencer, J. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1. Sci Rep, 7, 2017
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6QWB
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![BU of 6qwb by Molmil](/molmil-images/mine/6qwb) | Crystal structure of KPC-4 complexed with relebactam (16 hour soak) | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
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6QWD
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![BU of 6qwd by Molmil](/molmil-images/mine/6qwd) | Crystal structure of KPC-3 | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
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6QW9
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![BU of 6qw9 by Molmil](/molmil-images/mine/6qw9) | Crystal structure of KPC-2 complexed with relebactam (16 hour soak) | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
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6RK9
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6QWC
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![BU of 6qwc by Molmil](/molmil-images/mine/6qwc) | Crystal structure of KPC-4 complexed with relebactam (1 hour soak) | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
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6QW7
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![BU of 6qw7 by Molmil](/molmil-images/mine/6qw7) | Crystal structure of L2 complexed with relebactam (16 hour soak) | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, D-SERINE | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
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6QWA
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![BU of 6qwa by Molmil](/molmil-images/mine/6qwa) | Crystal structure of KPC-3 complexed with relebactam (16 hour soak) | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
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6QW8
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![BU of 6qw8 by Molmil](/molmil-images/mine/6qw8) | Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak) | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
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6QWE
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![BU of 6qwe by Molmil](/molmil-images/mine/6qwe) | Crystal structure of KPC-4 | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
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7DML
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![BU of 7dml by Molmil](/molmil-images/mine/7dml) | |
7AFZ
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![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
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7B9B
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![BU of 7b9b by Molmil](/molmil-images/mine/7b9b) | Crystal structure of human 5' exonuclease Appollo APO form | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-12-14 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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7BH4
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![BU of 7bh4 by Molmil](/molmil-images/mine/7bh4) | XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico) | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BHN
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7BH5
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![BU of 7bh5 by Molmil](/molmil-images/mine/7bh5) | XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico) | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BHM
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![BU of 7bhm by Molmil](/molmil-images/mine/7bhm) | |